N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

C62H40N2 — CID 166032620

IUPACN-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H40N2/c1-5-20-41(21-6-1)42-36-38-47(39-37-42)64(55-35-19-34-54-58(55)51-32-17-18-33-53(51)63(54)46-27-11-4-12-28-46)62-48-29-14-13-26-45(48)40-52-59-56(43-22-7-2-8-23-43)49-30-15-16-31-50(49)57(61(59)60(52)62)44-24-9-3-10-25-44/h1-40H
InChIKeyCRUCQSFODLDBRG-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.21
Rot. Bonds7

About N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 166032620) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID166032620
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H40N2/c1-5-20-41(21-6-1)42-36-38-47(39-37-42)64(55-35-19-34-54-58(55)51-32-17-18-33-53(51)63(54)46-27-11-4-12-28-46)62-48-29-14-13-26-45(48)40-52-59-56(43-22-7-2-8-23-43)49-30-15-16-31-50(49)57(61(59)60(52)62)44-24-9-3-10-25-44/h1-40H
InChIKeyCRUCQSFODLDBRG-UHFFFAOYSA-N
XLogP17.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-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-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
CID 155305653
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 169064644
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N-naphtho[2,3-b][1]benzofuran-6-yl-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
CID 163731446
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696

Frequently Asked Questions

What is the IUPAC name of N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (CID 166032620) is N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is c1ccc(-c2ccc(N(c3c4c(cc5ccccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is CRUCQSFODLDBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-5-20-41(21-6-1)42-36-38-47(39-37-42)64(55-35-19-34-54-58(55)51-32-17-18-33-53(51)63(54)46-27-11-4-12-28-46)62-48-29-14-13-26-45(48)40-52-59-56(43-22-7-2-8-23-43)49-30-15-16-31-50(49)57(61(59)60(52)62)44-24-9-3-10-25-44/h1-40H.
What are the key properties of N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 813.02 g/mol, XLogP of 17.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 166032620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).