N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C73H48N2 — CID 121358469

IUPACN-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C73H48N2/c1-4-21-49(22-5-1)53-45-54(50-23-6-2-7-24-50)47-55(46-53)52-25-18-28-58(48-52)74(57-43-41-51(42-44-57)59-33-19-39-69-71(59)63-32-13-17-38-68(63)75(69)56-26-8-3-9-27-56)70-40-20-37-67-72(70)62-31-12-16-36-66(62)73(67)64-34-14-10-29-60(64)61-30-11-15-35-65(61)73/h1-48H
InChIKeyOPXPFOGRNIHODA-UHFFFAOYSA-N
MW953.20 g/mol
LogP19.26
Rot. Bonds8

About N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121358469) has the molecular formula C73H48N2 and a molecular weight of 953.20 g/mol. Its IUPAC name is N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID121358469
Molecular FormulaC73H48N2
Molecular Weight953.20 g/mol
Exact Mass952.38
IUPAC NameN-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C73H48N2/c1-4-21-49(22-5-1)53-45-54(50-23-6-2-7-24-50)47-55(46-53)52-25-18-28-58(48-52)74(57-43-41-51(42-44-57)59-33-19-39-69-71(59)63-32-13-17-38-68(63)75(69)56-26-8-3-9-27-56)70-40-20-37-67-72(70)62-31-12-16-36-66(62)73(67)64-34-14-10-29-60(64)61-30-11-15-35-65(61)73/h1-48H
InChIKeyOPXPFOGRNIHODA-UHFFFAOYSA-N
XLogP19.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.20
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-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

N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309110
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358323
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121358469) is N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is OPXPFOGRNIHODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2/c1-4-21-49(22-5-1)53-45-54(50-23-6-2-7-24-50)47-55(46-53)52-25-18-28-58(48-52)74(57-43-41-51(42-44-57)59-33-19-39-69-71(59)63-32-13-17-38-68(63)75(69)56-26-8-3-9-27-56)70-40-20-37-67-72(70)62-31-12-16-36-66(62)73(67)64-34-14-10-29-60(64)61-30-11-15-35-65(61)73/h1-48H.
What are the key properties of N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 953.20 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121358469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).