9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile

About 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile

9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile (PubChem CID 159624668) has the molecular formula C137H88N8 and a molecular weight of 1846.27 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile.

Molecular Properties

Compound Name	9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile
PubChem CID	159624668
Molecular Formula	C137H88N8
Molecular Weight	1846.27 g/mol
Exact Mass	1844.71
IUPAC Name	9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile
SMILES	CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7cccnc7c7ccc4c5c67)cc3)cc21.N#Cc1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChI	InChI=1S/C49H31N3.C46H32N2.C42H25N3/c1-3-11-36(12-4-1)51(39-24-28-46-44(31-39)41-15-7-8-16-45(41)52(46)37-13-5-2-6-14-37)38-22-19-32(20-23-38)40-25-21-33-17-18-34-30-35-10-9-29-50-49(35)43-27-26-42(40)47(33)48(34)43;1-46(2)41-13-7-6-12-37(41)38-23-21-35(28-42(38)46)48(33-10-4-3-5-11-33)34-19-16-29(17-20-34)36-22-18-30-14-15-31-27-32-9-8-26-47-45(32)40-25-24-39(36)43(30)44(31)40;43-26-27-10-17-33(18-11-27)45(39-9-3-6-28-5-1-2-8-36(28)39)34-19-14-29(15-20-34)35-21-16-30-12-13-31-25-32-7-4-24-44-42(32)38-23-22-37(35)40(30)41(31)38/h1-31H;3-28H,1-2H3;1-25H
InChIKey	MOIIESHFMCIWPY-UHFFFAOYSA-N
XLogP	37.24
TPSA	77.11 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	13
Heavy Atoms	145
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1846.27
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile (CID 159624668) is 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7cccnc7c7ccc4c5c67)cc3)cc21.N#Cc1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile?

The InChIKey is MOIIESHFMCIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C46H32N2.C42H25N3/c1-3-11-36(12-4-1)51(39-24-28-46-44(31-39)41-15-7-8-16-45(41)52(46)37-13-5-2-6-14-37)38-22-19-32(20-23-38)40-25-21-33-17-18-34-30-35-10-9-29-50-49(35)43-27-26-42(40)47(33)48(34)43;1-46(2)41-13-7-6-12-37(41)38-23-21-35(28-42(38)46)48(33-10-4-3-5-11-33)34-19-16-29(17-20-34)36-22-18-30-14-15-31-27-32-9-8-26-47-45(32)40-25-24-39(36)43(30)44(31)40;43-26-27-10-17-33(18-11-27)45(39-9-3-6-28-5-1-2-8-36(28)39)34-19-14-29(15-20-34)35-21-16-30-12-13-31-25-32-7-4-24-44-42(32)38-23-22-37(35)40(30)41(31)38/h1-31H;3-28H,1-2H3;1-25H.

What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile?

9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile has a molecular weight of 1846.27 g/mol, XLogP of 37.24, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)fluoren-2-amine;N,9-diphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)carbazol-3-amine;4-(N-naphthalen-1-yl-4-pyreno[1,2-b]pyridin-1-ylanilino)benzonitrile is sourced from PubChem (CID 159624668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).