N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine

C46H36N2 — CID 118189776

IUPACN-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
SMILESC=C1c2c(n(-c3ccccc3)c3ccccc23)C=CC1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H36N2/c1-31-42(28-29-44-45(31)39-19-11-13-21-43(39)48(44)34-16-8-5-9-17-34)47(35-24-22-33(23-25-35)32-14-6-4-7-15-32)36-26-27-38-37-18-10-12-20-40(37)46(2,3)41(38)30-36/h4-30,42H,1H2,2-3H3
InChIKeyVPMMWIXQGRDZGJ-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.85
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine (PubChem CID 118189776) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
PubChem CID118189776
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine
SMILESC=C1c2c(n(-c3ccccc3)c3ccccc23)C=CC1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H36N2/c1-31-42(28-29-44-45(31)39-19-11-13-21-43(39)48(44)34-16-8-5-9-17-34)47(35-24-22-33(23-25-35)32-14-6-4-7-15-32)36-26-27-38-37-18-10-12-20-40(37)46(2,3)41(38)30-36/h4-30,42H,1H2,2-3H3
InChIKeyVPMMWIXQGRDZGJ-UHFFFAOYSA-N
XLogP11.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-5-(4-phenylthieno[3,2-b]indol-2-yl)-2,3-dihydrothiophen-2-amine
CID 163957938
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine (CID 118189776) is N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine is C=C1c2c(n(-c3ccccc3)c3ccccc23)C=CC1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine?
The InChIKey is VPMMWIXQGRDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-31-42(28-29-44-45(31)39-19-11-13-21-43(39)48(44)34-16-8-5-9-17-34)47(35-24-22-33(23-25-35)32-14-6-4-7-15-32)36-26-27-38-37-18-10-12-20-40(37)46(2,3)41(38)30-36/h4-30,42H,1H2,2-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine has a molecular weight of 616.81 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-methylidene-9-phenyl-N-(4-phenylphenyl)-3H-carbazol-3-amine is sourced from PubChem (CID 118189776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).