N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine

C51H38N2 — CID 169010390

IUPACN-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5-c5ccccc5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H38N2/c1-51(2)46-27-15-14-25-42(46)43-31-29-39(34-47(43)51)52(36-19-8-4-9-20-36)38-30-32-48-45(33-38)50-44(26-16-28-49(50)53(48)37-21-10-5-11-22-37)41-24-13-12-23-40(41)35-17-6-3-7-18-35/h3-34H,1-2H3
InChIKeyBSHNPZIEBHLUTL-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine (PubChem CID 169010390) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
PubChem CID169010390
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5-c5ccccc5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H38N2/c1-51(2)46-27-15-14-25-42(46)43-31-29-39(34-47(43)51)52(36-19-8-4-9-20-36)38-30-32-48-45(33-38)50-44(26-16-28-49(50)53(48)37-21-10-5-11-22-37)41-24-13-12-23-40(41)35-17-6-3-7-18-35/h3-34H,1-2H3
InChIKeyBSHNPZIEBHLUTL-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391796
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
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
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
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)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
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)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 121358356

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine (CID 169010390) is N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccccc5-c5ccccc5)cccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is BSHNPZIEBHLUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-27-15-14-25-42(46)43-31-29-39(34-47(43)51)52(36-19-8-4-9-20-36)38-30-32-48-45(33-38)50-44(26-16-28-49(50)53(48)37-21-10-5-11-22-37)41-24-13-12-23-40(41)35-17-6-3-7-18-35/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine has a molecular weight of 678.88 g/mol, XLogP of 13.89, 6 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)-N,9-diphenyl-5-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169010390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).