16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

C54H34N2 — CID 171729097

IUPAC16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)cc1
InChIInChI=1S/C54H34N2/c1-3-13-35(14-4-1)45-28-25-36-15-7-8-18-44(36)54(45)55(41-16-5-2-6-17-41)42-26-23-37-31-48-50(33-39(37)29-42)49-32-38-24-27-43(30-40(38)34-51(48)49)56-52-21-11-9-19-46(52)47-20-10-12-22-53(47)56/h1-34H
InChIKeyFXHDNOSUZIPJKP-UHFFFAOYSA-N
MW710.88 g/mol
LogP15.03
Rot. Bonds5

About 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (PubChem CID 171729097) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.

Molecular Properties

Compound Name16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
PubChem CID171729097
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)cc1
InChIInChI=1S/C54H34N2/c1-3-13-35(14-4-1)45-28-25-36-15-7-8-18-44(36)54(45)55(41-16-5-2-6-17-41)42-26-23-37-31-48-50(33-39(37)29-42)49-32-38-24-27-43(30-40(38)34-51(48)49)56-52-21-11-9-19-46(52)47-20-10-12-22-53(47)56/h1-34H
InChIKeyFXHDNOSUZIPJKP-UHFFFAOYSA-N
XLogP15.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine with MolForge

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Related Compounds

N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728078
6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038052
N-(4-tert-butylphenyl)-16-carbazol-9-yl-N-(1-phenylnaphthalen-2-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728159
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine
CID 171728551
N-[4-(7-benzo[c]carbazol-7-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170363151
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032042
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,9-diphenylcarbazol-1-amine
CID 166032412
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-(7-benzo[c]carbazol-7-ylnaphthalen-2-yl)-4-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038100
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
N-(3-tert-butylphenyl)-16-carbazol-9-yl-N-(2,5-diphenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033229

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The IUPAC name of 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (CID 171729097) is 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.
What is the SMILES notation for 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The canonical SMILES for 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is c1ccc(-c2ccc3ccccc3c2N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)cc1.
What is the InChIKey of 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The InChIKey is FXHDNOSUZIPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-13-35(14-4-1)45-28-25-36-15-7-8-18-44(36)54(45)55(41-16-5-2-6-17-41)42-26-23-37-31-48-50(33-39(37)29-42)49-32-38-24-27-43(30-40(38)34-51(48)49)56-52-21-11-9-19-46(52)47-20-10-12-22-53(47)56/h1-34H.
What are the key properties of 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine has a molecular weight of 710.88 g/mol, XLogP of 15.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is sourced from PubChem (CID 171729097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).