N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine

C49H42N2 — CID 166698349

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
SMILESCC1C=C2C(=CC1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)C(C)(C)c1ccccc12
InChIInChI=1S/C49H42N2/c1-31-27-39-36-18-10-13-21-42(36)49(4,5)44(39)30-47(31)50(34-23-25-37-35-17-9-12-20-41(35)48(2,3)43(37)29-34)33-24-26-46-40(28-33)38-19-11-14-22-45(38)51(46)32-15-7-6-8-16-32/h6-31,47H,1-5H3
InChIKeyFLKLXPVEBHRTQH-UHFFFAOYSA-N
MW658.89 g/mol
LogP12.55
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine (PubChem CID 166698349) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
PubChem CID166698349
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
SMILESCC1C=C2C(=CC1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)C(C)(C)c1ccccc12
InChIInChI=1S/C49H42N2/c1-31-27-39-36-18-10-13-21-42(36)49(4,5)44(39)30-47(31)50(34-23-25-37-35-17-9-12-20-41(35)48(2,3)43(37)29-34)33-24-26-46-40(28-33)38-19-11-14-22-45(38)51(46)32-15-7-6-8-16-32/h6-31,47H,1-5H3
InChIKeyFLKLXPVEBHRTQH-UHFFFAOYSA-N
XLogP12.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine
CID 131995516
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
N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
CID 162022075
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
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
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 177097181
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine (CID 166698349) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine is CC1C=C2C(=CC1N(c1ccc3c(c1)C(C)(C)c1ccccc1-3)c1ccc3c(c1)c1ccccc1n3-c1ccccc1)C(C)(C)c1ccccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine?
The InChIKey is FLKLXPVEBHRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2/c1-31-27-39-36-18-10-13-21-42(36)49(4,5)44(39)30-47(31)50(34-23-25-37-35-17-9-12-20-41(35)48(2,3)43(37)29-34)33-24-26-46-40(28-33)38-19-11-14-22-45(38)51(46)32-15-7-6-8-16-32/h6-31,47H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine has a molecular weight of 658.89 g/mol, XLogP of 12.55, 4 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)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine is sourced from PubChem (CID 166698349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).