N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine

C45H39N3 — CID 146669743

IUPACN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine
SMILESCC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(N(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)c2ccccn2)cc1
InChIInChI=1S/C45H39N3/c1-30-27-43-39(37-16-8-10-18-42(37)48(43)32-13-5-4-6-14-32)29-38(30)31-20-22-33(23-21-31)47(44-19-11-12-26-46-44)34-24-25-36-35-15-7-9-17-40(35)45(2,3)41(36)28-34/h4-8,10-16,18-26,28-30H,9,17,27H2,1-3H3
InChIKeyGKQIWNSUKFHUBL-UHFFFAOYSA-N
MW621.83 g/mol
LogP11.62
Rot. Bonds5

About N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine (PubChem CID 146669743) has the molecular formula C45H39N3 and a molecular weight of 621.83 g/mol. Its IUPAC name is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine
PubChem CID146669743
Molecular FormulaC45H39N3
Molecular Weight621.83 g/mol
Exact Mass621.31
IUPAC NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine
SMILESCC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(N(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)c2ccccn2)cc1
InChIInChI=1S/C45H39N3/c1-30-27-43-39(37-16-8-10-18-42(37)48(43)32-13-5-4-6-14-32)29-38(30)31-20-22-33(23-21-31)47(44-19-11-12-26-46-44)34-24-25-36-35-15-7-9-17-40(35)45(2,3)41(36)28-34/h4-8,10-16,18-26,28-30H,9,17,27H2,1-3H3
InChIKeyGKQIWNSUKFHUBL-UHFFFAOYSA-N
XLogP11.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.83
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
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
9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 155064803
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
N-[4-[(E)-(9-phenyl-3H-carbazol-4-ylidene)methyl]phenyl]-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)pyridin-2-amine
CID 155419839
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
CID 138737549
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458
9,9-dimethyl-N-[6-methyl-4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenylfluoren-2-amine
CID 134389254

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine (CID 146669743) is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine is CC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(N(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)c2ccccn2)cc1.
What is the InChIKey of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine?
The InChIKey is GKQIWNSUKFHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N3/c1-30-27-43-39(37-16-8-10-18-42(37)48(43)32-13-5-4-6-14-32)29-38(30)31-20-22-33(23-21-31)47(44-19-11-12-26-46-44)34-24-25-36-35-15-7-9-17-40(35)45(2,3)41(36)28-34/h4-8,10-16,18-26,28-30H,9,17,27H2,1-3H3.
What are the key properties of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine?
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine has a molecular weight of 621.83 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 146669743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).