N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine

C49H42N2 — CID 163992758

IUPACN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=CC(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CCC2(C)c2ccccc21
InChIInChI=1S/C49H42N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-27,29-31H,28H2,1-5H3
InChIKeyUCBNISZRBRFOSK-UHFFFAOYSA-N
MW658.89 g/mol
LogP12.69
Rot. Bonds4

About N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 163992758) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
PubChem CID163992758
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=CC(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CCC2(C)c2ccccc21
InChIInChI=1S/C49H42N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-27,29-31H,28H2,1-5H3
InChIKeyUCBNISZRBRFOSK-UHFFFAOYSA-N
XLogP12.69
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 ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine
CID 138708400
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
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
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
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
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201

Frequently Asked Questions

What is the IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine (CID 163992758) is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine is CC1(C)C2=CC(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CCC2(C)c2ccccc21.
What is the InChIKey of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The InChIKey is UCBNISZRBRFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-27,29-31H,28H2,1-5H3.
What are the key properties of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine?
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 658.89 g/mol, XLogP of 12.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 163992758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).