N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine

C144H99N5O — CID 165004537

IUPACN-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c21.CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c3c21.c1ccc(N(c2ccc3c(ccc4ccc5ccc6oc7ccccc7c6c5c43)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H36N2.C48H30N2O.C45H33N/c1-51(2)43-21-11-9-19-42(43)49-44(51)31-28-34-25-24-33-26-27-35-32-38(29-30-39(35)47(33)48(34)49)52(36-14-5-3-6-15-36)46-23-13-20-41-40-18-10-12-22-45(40)53(50(41)46)37-16-7-4-8-17-37;1-3-12-34(13-4-1)49(42-20-11-18-39-38-16-7-9-19-41(38)50(48(39)42)35-14-5-2-6-15-35)36-27-28-37-33(30-36)25-24-31-22-23-32-26-29-44-47(46(32)45(31)37)40-17-8-10-21-43(40)51-44;1-45(2)40-16-10-9-15-39(40)44-41(45)28-23-33-18-17-32-19-20-34-29-37(26-27-38(34)42(32)43(33)44)46(35-13-7-4-8-14-35)36-24-21-31(22-25-36)30-11-5-3-6-12-30/h3-32H,1-2H3;1-30H;3-29H,1-2H3
InChIKeyITJKYGNNSAOLNA-UHFFFAOYSA-N
MW1915.41 g/mol
LogP40.22
Rot. Bonds12

About N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine

N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine (PubChem CID 165004537) has the molecular formula C144H99N5O and a molecular weight of 1915.41 g/mol. Its IUPAC name is N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine.

Molecular Properties

Compound NameN-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
PubChem CID165004537
Molecular FormulaC144H99N5O
Molecular Weight1915.41 g/mol
Exact Mass1913.78
IUPAC NameN-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c21.CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c3c21.c1ccc(N(c2ccc3c(ccc4ccc5ccc6oc7ccccc7c6c5c43)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C51H36N2.C48H30N2O.C45H33N/c1-51(2)43-21-11-9-19-42(43)49-44(51)31-28-34-25-24-33-26-27-35-32-38(29-30-39(35)47(33)48(34)49)52(36-14-5-3-6-15-36)46-23-13-20-41-40-18-10-12-22-45(40)53(50(41)46)37-16-7-4-8-17-37;1-3-12-34(13-4-1)49(42-20-11-18-39-38-16-7-9-19-41(38)50(48(39)42)35-14-5-2-6-15-35)36-27-28-37-33(30-36)25-24-31-22-23-32-26-29-44-47(46(32)45(31)37)40-17-8-10-21-43(40)51-44;1-45(2)40-16-10-9-15-39(40)44-41(45)28-23-33-18-17-32-19-20-34-29-37(26-27-38(34)42(32)43(33)44)46(35-13-7-4-8-14-35)36-24-21-31(22-25-36)30-11-5-3-6-12-30/h3-32H,1-2H3;1-30H;3-29H,1-2H3
InChIKeyITJKYGNNSAOLNA-UHFFFAOYSA-N
XLogP40.22
TPSA32.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001915.41
LogP ≤ 540.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine with MolForge

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Related Compounds

N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275240
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170035375
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377335
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 170033942
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine
CID 170126953

Frequently Asked Questions

What is the IUPAC name of N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine?
The IUPAC name of N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine (CID 165004537) is N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine.
What is the SMILES notation for N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine?
The canonical SMILES for N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine is CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c3c21.CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(N(c5ccccc5)c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c3c21.c1ccc(N(c2ccc3c(ccc4ccc5ccc6oc7ccccc7c6c5c43)c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine?
The InChIKey is ITJKYGNNSAOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.C48H30N2O.C45H33N/c1-51(2)43-21-11-9-19-42(43)49-44(51)31-28-34-25-24-33-26-27-35-32-38(29-30-39(35)47(33)48(34)49)52(36-14-5-3-6-15-36)46-23-13-20-41-40-18-10-12-22-45(40)53(50(41)46)37-16-7-4-8-17-37;1-3-12-34(13-4-1)49(42-20-11-18-39-38-16-7-9-19-41(38)50(48(39)42)35-14-5-2-6-15-35)36-27-28-37-33(30-36)25-24-31-22-23-32-26-29-44-47(46(32)45(31)37)40-17-8-10-21-43(40)51-44;1-45(2)40-16-10-9-15-39(40)44-41(45)28-23-33-18-17-32-19-20-34-29-37(26-27-38(34)42(32)43(33)44)46(35-13-7-4-8-14-35)36-24-21-31(22-25-36)30-11-5-3-6-12-30/h3-32H,1-2H3;1-30H;3-29H,1-2H3.
What are the key properties of N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine?
N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine has a molecular weight of 1915.41 g/mol, XLogP of 40.22, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-N,9-diphenylcarbazol-1-amine;18,18-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine;N-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine is sourced from PubChem (CID 165004537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).