N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine

C48H28N2O3 — CID 170235145

IUPACN,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H28N2O3/c1-3-11-29(12-4-1)49(31-19-21-34-33-15-7-9-17-41(33)50(42(34)23-31)30-13-5-2-6-14-30)32-20-22-36-38-26-48-40(28-46(38)52-44(36)24-32)39-27-45-37(25-47(39)53-48)35-16-8-10-18-43(35)51-45/h1-28H
InChIKeyHZHGCPQWZMYVQK-UHFFFAOYSA-N
MW680.76 g/mol
LogP13.95
Rot. Bonds4

About N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine (PubChem CID 170235145) has the molecular formula C48H28N2O3 and a molecular weight of 680.76 g/mol. Its IUPAC name is N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
PubChem CID170235145
Molecular FormulaC48H28N2O3
Molecular Weight680.76 g/mol
Exact Mass680.21
IUPAC NameN,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H28N2O3/c1-3-11-29(12-4-1)49(31-19-21-34-33-15-7-9-17-41(33)50(42(34)23-31)30-13-5-2-6-14-30)32-20-22-36-38-26-48-40(28-46(38)52-44(36)24-32)39-27-45-37(25-47(39)53-48)35-16-8-10-18-43(35)51-45/h1-28H
InChIKeyHZHGCPQWZMYVQK-UHFFFAOYSA-N
XLogP13.95
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.76
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)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-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine (CID 170235145) is N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine is c1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)oc2cc3c(cc24)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine?
The InChIKey is HZHGCPQWZMYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O3/c1-3-11-29(12-4-1)49(31-19-21-34-33-15-7-9-17-41(33)50(42(34)23-31)30-13-5-2-6-14-30)32-20-22-36-38-26-48-40(28-46(38)52-44(36)24-32)39-27-45-37(25-47(39)53-48)35-16-8-10-18-43(35)51-45/h1-28H.
What are the key properties of N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine?
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine has a molecular weight of 680.76 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine is sourced from PubChem (CID 170235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).