N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

C54H42N2 — CID 139568029

IUPACN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C54H42N2/c1-53(2)48-23-12-9-20-42(48)46-33-39(27-30-49(46)53)55(40-26-29-43-41-19-8-11-22-47(41)54(3,4)50(43)34-40)38-18-14-15-35(31-38)36-25-28-45-44-21-10-13-24-51(44)56(52(45)32-36)37-16-6-5-7-17-37/h5-34H,1-4H3
InChIKeyIHBPGDFPBGMNDR-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.53
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (PubChem CID 139568029) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
PubChem CID139568029
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C54H42N2/c1-53(2)48-23-12-9-20-42(48)46-33-39(27-30-49(46)53)55(40-26-29-43-41-19-8-11-22-47(41)54(3,4)50(43)34-40)38-18-14-15-35(31-38)36-25-28-45-44-21-10-13-24-51(44)56(52(45)32-36)37-16-6-5-7-17-37/h5-34H,1-4H3
InChIKeyIHBPGDFPBGMNDR-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
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-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
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
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (CID 139568029) is N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?
The InChIKey is IHBPGDFPBGMNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-53(2)48-23-12-9-20-42(48)46-33-39(27-30-49(46)53)55(40-26-29-43-41-19-8-11-22-47(41)54(3,4)50(43)34-40)38-18-14-15-35(31-38)36-25-28-45-44-21-10-13-24-51(44)56(52(45)32-36)37-16-6-5-7-17-37/h5-34H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine has a molecular weight of 718.94 g/mol, XLogP of 14.53, 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-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 139568029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).