N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C76H62N2 — CID 155614223

IUPACN-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C76H62N2/c1-7-49(2)50-21-23-52(24-22-50)53-25-27-55(28-26-53)57-33-43-73-67(45-57)68-46-58(34-44-74(68)78(73)62-40-42-66-64-18-12-14-20-70(64)76(5,6)72(66)48-62)56-31-37-60(38-32-56)77(59-35-29-54(30-36-59)51-15-9-8-10-16-51)61-39-41-65-63-17-11-13-19-69(63)75(3,4)71(65)47-61/h8-49H,7H2,1-6H3
InChIKeyYDWGPMYDGNPARP-UHFFFAOYSA-N
MW1003.35 g/mol
LogP21.05
Rot. Bonds10

About N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155614223) has the molecular formula C76H62N2 and a molecular weight of 1003.35 g/mol. Its IUPAC name is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155614223
Molecular FormulaC76H62N2
Molecular Weight1003.35 g/mol
Exact Mass1002.49
IUPAC NameN-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C76H62N2/c1-7-49(2)50-21-23-52(24-22-50)53-25-27-55(28-26-53)57-33-43-73-67(45-57)68-46-58(34-44-74(68)78(73)62-40-42-66-64-18-12-14-20-70(64)76(5,6)72(66)48-62)56-31-37-60(38-32-56)77(59-35-29-54(30-36-59)51-15-9-8-10-16-51)61-39-41-65-63-17-11-13-19-69(63)75(3,4)71(65)47-61/h8-49H,7H2,1-6H3
InChIKeyYDWGPMYDGNPARP-UHFFFAOYSA-N
XLogP21.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.35
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154597327
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614251
4-[6-(4-butan-2-ylphenyl)-9-(4-methylphenyl)carbazol-3-yl]-N,N-diphenylaniline;4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159054745
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614173
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158167426
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-ylphenyl)-6-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 146352295
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155614223) is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is YDWGPMYDGNPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N2/c1-7-49(2)50-21-23-52(24-22-50)53-25-27-55(28-26-53)57-33-43-73-67(45-57)68-46-58(34-44-74(68)78(73)62-40-42-66-64-18-12-14-20-70(64)76(5,6)72(66)48-62)56-31-37-60(38-32-56)77(59-35-29-54(30-36-59)51-15-9-8-10-16-51)61-39-41-65-63-17-11-13-19-69(63)75(3,4)71(65)47-61/h8-49H,7H2,1-6H3.
What are the key properties of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1003.35 g/mol, XLogP of 21.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155614223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).