16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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

C55H40N2 — CID 171728544

IUPAC16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2ccc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C55H40N2/c1-35-19-24-42(25-20-35)56(54-28-23-36-11-5-6-14-45(36)55(54)37-12-3-2-4-13-37)43-26-21-38-31-48-50(33-40(38)29-43)49-32-39-22-27-44(30-41(39)34-51(48)49)57-52-17-9-7-15-46(52)47-16-8-10-18-53(47)57/h2-4,7-10,12-13,15-34H,5-6,11,14H2,1H3
InChIKeyGEEOWQJTWWUDNP-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.06
Rot. Bonds5

About 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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

16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 (PubChem CID 171728544) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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.

Molecular Properties

Compound Name16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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
PubChem CID171728544
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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
SMILESCc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2ccc3c(c2-c2ccccc2)CCCC3)cc1
InChIInChI=1S/C55H40N2/c1-35-19-24-42(25-20-35)56(54-28-23-36-11-5-6-14-45(36)55(54)37-12-3-2-4-13-37)43-26-21-38-31-48-50(33-40(38)29-43)49-32-39-22-27-44(30-41(39)34-51(48)49)57-52-17-9-7-15-46(52)47-16-8-10-18-53(47)57/h2-4,7-10,12-13,15-34H,5-6,11,14H2,1H3
InChIKeyGEEOWQJTWWUDNP-UHFFFAOYSA-N
XLogP15.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 with MolForge

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Related Compounds

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
17-carbazol-9-yl-N-(3,5-dimethylphenyl)-N-(2-methylphenyl)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 166033213
N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[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 166033638
16-carbazol-9-yl-N-(2,5-dimethylphenyl)-N-(2-methylphenyl)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 166032432
N-(2-tert-butylphenyl)-16-carbazol-9-yl-N-phenylpentacyclo[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 166033573
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
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
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 162093292
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 158479839
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-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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?
The IUPAC name of 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 171728544) is 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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.
What is the SMILES notation for 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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?
The canonical SMILES for 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 is Cc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2ccc3c(c2-c2ccccc2)CCCC3)cc1.
What is the InChIKey of 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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?
The InChIKey is GEEOWQJTWWUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-35-19-24-42(25-20-35)56(54-28-23-36-11-5-6-14-45(36)55(54)37-12-3-2-4-13-37)43-26-21-38-31-48-50(33-40(38)29-43)49-32-39-22-27-44(30-41(39)34-51(48)49)57-52-17-9-7-15-46(52)47-16-8-10-18-53(47)57/h2-4,7-10,12-13,15-34H,5-6,11,14H2,1H3.
What are the key properties of 16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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?
16-carbazol-9-yl-N-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 has a molecular weight of 728.94 g/mol, XLogP of 15.06, 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-(4-methylphenyl)-N-(1-phenyl-5,6,7,8-tetrahydronaphthalen-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 is sourced from PubChem (CID 171728544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).