N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine

C44H39N3 — CID 174366882

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CCN3)c3ccc(C4C=Cc5c(c6c(n5-c5ccccc5)C=CCC6)C4)cc3)cc21
InChIInChI=1S/C44H39N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-6,8-14,16-26,29,31,45H,7,15,27-28H2,1-2H3
InChIKeyKXPVTMSCVNUFNN-UHFFFAOYSA-N
MW609.82 g/mol
LogP10.23
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine (PubChem CID 174366882) has the molecular formula C44H39N3 and a molecular weight of 609.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
PubChem CID174366882
Molecular FormulaC44H39N3
Molecular Weight609.82 g/mol
Exact Mass609.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CCN3)c3ccc(C4C=Cc5c(c6c(n5-c5ccccc5)C=CCC6)C4)cc3)cc21
InChIInChI=1S/C44H39N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-6,8-14,16-26,29,31,45H,7,15,27-28H2,1-2H3
InChIKeyKXPVTMSCVNUFNN-UHFFFAOYSA-N
XLogP10.23
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine
CID 89035158
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146670239
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine (CID 174366882) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CCN3)c3ccc(C4C=Cc5c(c6c(n5-c5ccccc5)C=CCC6)C4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine?
The InChIKey is KXPVTMSCVNUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N3/c1-44(2)39-16-8-6-14-35(39)36-25-24-34(29-40(36)44)46(43-18-10-11-27-45-43)33-22-19-30(20-23-33)31-21-26-42-38(28-31)37-15-7-9-17-41(37)47(42)32-12-4-3-5-13-32/h3-6,8-14,16-26,29,31,45H,7,15,27-28H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine has a molecular weight of 609.82 g/mol, XLogP of 10.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 174366882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).