7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C93H58N2 — CID 153283264

IUPAC7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESC#Cc1cccc(-c2cc(-c3ccc(-c4cccc(C#C)c4C#C)c(-c4cccc(C#C)c4C#C)c3)cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)c2)c1C#C
InChIInChI=1S/C93H58N2/c1-9-61-28-23-34-80(77(61)12-4)72-55-70(68-42-50-83(81-35-24-29-62(10-2)78(81)13-5)87(57-68)82-36-25-30-63(11-3)79(82)14-6)54-71(56-72)69-43-51-84-85-52-49-76(60-90(85)93(7,8)89(84)59-69)94(74-45-38-65(39-46-74)64-26-17-15-18-27-64)75-47-40-66(41-48-75)67-44-53-92-88(58-67)86-33-21-22-37-91(86)95(92)73-31-19-16-20-32-73/h1-6,15-60H,7-8H3
InChIKeyXUEXGDHNTPQMGY-UHFFFAOYSA-N
MW1203.50 g/mol
LogP22.12
Rot. Bonds11

About 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 153283264) has the molecular formula C93H58N2 and a molecular weight of 1203.50 g/mol. Its IUPAC name is 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID153283264
Molecular FormulaC93H58N2
Molecular Weight1203.50 g/mol
Exact Mass1202.46
IUPAC Name7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESC#Cc1cccc(-c2cc(-c3ccc(-c4cccc(C#C)c4C#C)c(-c4cccc(C#C)c4C#C)c3)cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)c2)c1C#C
InChIInChI=1S/C93H58N2/c1-9-61-28-23-34-80(77(61)12-4)72-55-70(68-42-50-83(81-35-24-29-62(10-2)78(81)13-5)87(57-68)82-36-25-30-63(11-3)79(82)14-6)54-71(56-72)69-43-51-84-85-52-49-76(60-90(85)93(7,8)89(84)59-69)94(74-45-38-65(39-46-74)64-26-17-15-18-27-64)75-47-40-66(41-48-75)67-44-53-92-88(58-67)86-33-21-22-37-91(86)95(92)73-31-19-16-20-32-73/h1-6,15-60H,7-8H3
InChIKeyXUEXGDHNTPQMGY-UHFFFAOYSA-N
XLogP22.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.50
LogP ≤ 522.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[2,4-bis(2,3-diethynylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 153283269
N-[4-[4-(N-[9-[3-[3,5-bis(2,3-diethynylphenyl)phenyl]phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 153283315
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-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
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-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-[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
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 153283264) is 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is C#Cc1cccc(-c2cc(-c3ccc(-c4cccc(C#C)c4C#C)c(-c4cccc(C#C)c4C#C)c3)cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc3-4)c2)c1C#C.
What is the InChIKey of 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XUEXGDHNTPQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H58N2/c1-9-61-28-23-34-80(77(61)12-4)72-55-70(68-42-50-83(81-35-24-29-62(10-2)78(81)13-5)87(57-68)82-36-25-30-63(11-3)79(82)14-6)54-71(56-72)69-43-51-84-85-52-49-76(60-90(85)93(7,8)89(84)59-69)94(74-45-38-65(39-46-74)64-26-17-15-18-27-64)75-47-40-66(41-48-75)67-44-53-92-88(58-67)86-33-21-22-37-91(86)95(92)73-31-19-16-20-32-73/h1-6,15-60H,7-8H3.
What are the key properties of 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1203.50 g/mol, XLogP of 22.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3,4-bis(2,3-diethynylphenyl)phenyl]-5-(2,3-diethynylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 153283264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).