N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

C55H40N2 — CID 134380558

IUPACN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)ccc21
InChIInChI=1S/C55H40N2/c1-55(2)50-21-11-8-19-46(50)48-36-44(32-33-51(48)55)56(42-28-24-38(25-29-42)37-14-4-3-5-15-37)43-30-26-39(27-31-43)45-18-9-12-22-52(45)57-53-23-13-10-20-47(53)49-34-40-16-6-7-17-41(40)35-54(49)57/h3-36H,1-2H3
InChIKeyCGWCRSKJGVTAPU-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 134380558) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID134380558
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)ccc21
InChIInChI=1S/C55H40N2/c1-55(2)50-21-11-8-19-46(50)48-36-44(32-33-51(48)55)56(42-28-24-38(25-29-42)37-14-4-3-5-15-37)43-30-26-39(27-31-43)45-18-9-12-22-52(45)57-53-23-13-10-20-47(53)49-34-40-16-6-7-17-41(40)35-54(49)57/h3-36H,1-2H3
InChIKeyCGWCRSKJGVTAPU-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
CID 159602071
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
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
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-(4-benzo[b]carbazol-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 159554893
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
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-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 161261626
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 165066958
22,22-dimethyl-N,N-diphenyl-10-(4-phenylphenyl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668017

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (CID 134380558) is N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)ccc21.
What is the InChIKey of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is CGWCRSKJGVTAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)50-21-11-8-19-46(50)48-36-44(32-33-51(48)55)56(42-28-24-38(25-29-42)37-14-4-3-5-15-37)43-30-26-39(27-31-43)45-18-9-12-22-52(45)57-53-23-13-10-20-47(53)49-34-40-16-6-7-17-41(40)35-54(49)57/h3-36H,1-2H3.
What are the key properties of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 134380558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).