N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine

C45H47N3 — CID 166943257

IUPACN-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine
SMILESCC1CCC2=C(C1)C(C)(C)C1CC(N(C3=CC=CCN3)c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)=CCC21
InChIInChI=1S/C45H47N3/c1-30-16-23-36-37-24-22-35(29-41(37)45(2,3)40(36)27-30)47(44-15-9-10-26-46-44)34-20-17-31(18-21-34)32-19-25-43-39(28-32)38-13-7-8-14-42(38)48(43)33-11-5-4-6-12-33/h4-15,17-18,20-22,28,30,37,41,46H,16,19,23-27,29H2,1-3H3
InChIKeyAJDBAWGTIOAFKC-UHFFFAOYSA-N
MW629.89 g/mol
LogP10.99
Rot. Bonds5

About N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine

N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine (PubChem CID 166943257) has the molecular formula C45H47N3 and a molecular weight of 629.89 g/mol. Its IUPAC name is N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine
PubChem CID166943257
Molecular FormulaC45H47N3
Molecular Weight629.89 g/mol
Exact Mass629.38
IUPAC NameN-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine
SMILESCC1CCC2=C(C1)C(C)(C)C1CC(N(C3=CC=CCN3)c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)=CCC21
InChIInChI=1S/C45H47N3/c1-30-16-23-36-37-24-22-35(29-41(37)45(2,3)40(36)27-30)47(44-15-9-10-26-46-44)34-20-17-31(18-21-34)32-19-25-43-39(28-32)38-13-7-8-14-42(38)48(43)33-11-5-4-6-12-33/h4-15,17-18,20-22,28,30,37,41,46H,16,19,23-27,29H2,1-3H3
InChIKeyAJDBAWGTIOAFKC-UHFFFAOYSA-N
XLogP10.99
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.89
LogP ≤ 510.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]phenyl]-4,4a-dihydrofluoren-2-amine
CID 144896705
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146189114
N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
CID 88979154
N-cyclohexa-1,3-dien-1-yl-6-dibenzothiophen-2-yl-N-phenanthren-3-yl-9-phenyl-7,8-dihydrocarbazol-2-amine;ethane
CID 145358126
11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
CID 123579854
9-(6-methylcyclohexa-1,3-dien-1-yl)-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 146658014
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole
CID 145381854

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine?
The IUPAC name of N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine (CID 166943257) is N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine is CC1CCC2=C(C1)C(C)(C)C1CC(N(C3=CC=CCN3)c3ccc(C4=Cc5c(n(-c6ccccc6)c6ccccc56)CC4)cc3)=CCC21.
What is the InChIKey of N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine?
The InChIKey is AJDBAWGTIOAFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N3/c1-30-16-23-36-37-24-22-35(29-41(37)45(2,3)40(36)27-30)47(44-15-9-10-26-46-44)34-20-17-31(18-21-34)32-19-25-43-39(28-32)38-13-7-8-14-42(38)48(43)33-11-5-4-6-12-33/h4-15,17-18,20-22,28,30,37,41,46H,16,19,23-27,29H2,1-3H3.
What are the key properties of N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine?
N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine has a molecular weight of 629.89 g/mol, XLogP of 10.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 166943257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).