N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine

C46H28N2 — CID 58453416

IUPACN-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1
InChIInChI=1S/C46H28N2/c1-2-11-32(12-3-1)47(33-20-22-34(23-21-33)48-42-15-6-4-13-37(42)38-14-5-7-16-43(38)48)35-24-26-36-39-25-19-30-18-17-29-9-8-10-31-27-41(40(36)28-35)46(39)45(30)44(29)31/h1-28H
InChIKeyGNAXEKSYVHESEO-UHFFFAOYSA-N
MW608.74 g/mol
LogP12.80
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine

N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine (PubChem CID 58453416) has the molecular formula C46H28N2 and a molecular weight of 608.74 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine
PubChem CID58453416
Molecular FormulaC46H28N2
Molecular Weight608.74 g/mol
Exact Mass608.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1
InChIInChI=1S/C46H28N2/c1-2-11-32(12-3-1)47(33-20-22-34(23-21-33)48-42-15-6-4-13-37(42)38-14-5-7-16-43(38)48)35-24-26-36-39-25-19-30-18-17-29-9-8-10-31-27-41(40(36)28-35)46(39)45(30)44(29)31/h1-28H
InChIKeyGNAXEKSYVHESEO-UHFFFAOYSA-N
XLogP12.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine with MolForge

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Related Compounds

N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N,9-diphenylcarbazol-3-amine
CID 167357224
N-naphthalen-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-3-amine
CID 167357254
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 167282085
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N,9-diphenylcarbazol-2-amine
CID 167413075
N-(4-carbazol-9-ylphenyl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100543

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine (CID 58453416) is N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)-c2cc4cccc5ccc6ccc-3c2c6c54)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine?
The InChIKey is GNAXEKSYVHESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2/c1-2-11-32(12-3-1)47(33-20-22-34(23-21-33)48-42-15-6-4-13-37(42)38-14-5-7-16-43(38)48)35-24-26-36-39-25-19-30-18-17-29-9-8-10-31-27-41(40(36)28-35)46(39)45(30)44(29)31/h1-28H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine?
N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine has a molecular weight of 608.74 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenylhexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-4-amine is sourced from PubChem (CID 58453416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).