N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C57H38N2 — CID 162770145

IUPACN-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c2-c2c1ccc1ccc3cccc-4c3c21
InChIInChI=1S/C57H38N2/c1-57(2)47-32-27-38-24-23-37-15-11-19-44-45-20-12-21-46-51(34-48(57)56(54(45)46)55(47)53(38)52(37)44)58(40-28-25-36(26-29-40)35-13-5-3-6-14-35)41-30-31-43-42-18-9-10-22-49(42)59(50(43)33-41)39-16-7-4-8-17-39/h3-34H,1-2H3
InChIKeyGNALBHKWYQTSEN-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.67
Rot. Bonds5

About N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 162770145) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID162770145
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC NameN-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c2-c2c1ccc1ccc3cccc-4c3c21
InChIInChI=1S/C57H38N2/c1-57(2)47-32-27-38-24-23-37-15-11-19-44-45-20-12-21-46-51(34-48(57)56(54(45)46)55(47)53(38)52(37)44)58(40-28-25-36(26-29-40)35-13-5-3-6-14-35)41-30-31-43-42-18-9-10-22-49(42)59(50(43)33-41)39-16-7-4-8-17-39/h3-34H,1-2H3
InChIKeyGNALBHKWYQTSEN-UHFFFAOYSA-N
XLogP15.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177097182
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169023356
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299727
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274

Frequently Asked Questions

What is the IUPAC name of N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 162770145) is N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c2-c2c1ccc1ccc3cccc-4c3c21.
What is the InChIKey of N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is GNALBHKWYQTSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-57(2)47-32-27-38-24-23-37-15-11-19-44-45-20-12-21-46-51(34-48(57)56(54(45)46)55(47)53(38)52(37)44)58(40-28-25-36(26-29-40)35-13-5-3-6-14-35)41-30-31-43-42-18-9-10-22-49(42)59(50(43)33-41)39-16-7-4-8-17-39/h3-34H,1-2H3.
What are the key properties of N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 750.95 g/mol, XLogP of 15.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,15-dimethyl-18-heptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16,18,20,22,24-dodecaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 162770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).