N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine

C48H38N2 — CID 90261832

IUPACN,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H38N2/c1-47(2)41-19-11-8-16-35(41)38-28-32(22-25-43(38)47)49(33-23-26-44-39(29-33)36-17-9-12-20-42(36)48(44,3)4)34-24-27-46-40(30-34)37-18-10-13-21-45(37)50(46)31-14-6-5-7-15-31/h5-30H,1-4H3
InChIKeyDJDFYPLSRVEUMJ-UHFFFAOYSA-N
MW642.85 g/mol
LogP12.87
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine

N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine (PubChem CID 90261832) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
PubChem CID90261832
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC NameN,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C48H38N2/c1-47(2)41-19-11-8-16-35(41)38-28-32(22-25-43(38)47)49(33-23-26-44-39(29-33)36-17-9-12-20-42(36)48(44,3)4)34-24-27-46-40(30-34)37-18-10-13-21-45(37)50(46)31-14-6-5-7-15-31/h5-30H,1-4H3
InChIKeyDJDFYPLSRVEUMJ-UHFFFAOYSA-N
XLogP12.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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,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-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
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
11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
CID 90051042
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 167197123
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine (CID 90261832) is N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The InChIKey is DJDFYPLSRVEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-47(2)41-19-11-8-16-35(41)38-28-32(22-25-43(38)47)49(33-23-26-44-39(29-33)36-17-9-12-20-42(36)48(44,3)4)34-24-27-46-40(30-34)37-18-10-13-21-45(37)50(46)31-14-6-5-7-15-31/h5-30H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine has a molecular weight of 642.85 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 90261832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).