N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C63H45N3 — CID 121358635

IUPACN-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H45N3/c1-63(2)54-27-14-12-25-51(54)62-55(63)28-17-31-58(62)64(47-36-32-43(33-37-47)42-18-6-3-7-19-42)48-38-34-44(35-39-48)49-26-16-30-57-61(49)53-40-52-50-24-13-15-29-56(50)65(45-20-8-4-9-21-45)59(52)41-60(53)66(57)46-22-10-5-11-23-46/h3-41H,1-2H3
InChIKeyKOYLJKRYLRISJC-UHFFFAOYSA-N
MW844.07 g/mol
LogP16.99
Rot. Bonds7

About N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 121358635) has the molecular formula C63H45N3 and a molecular weight of 844.07 g/mol. Its IUPAC name is N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID121358635
Molecular FormulaC63H45N3
Molecular Weight844.07 g/mol
Exact Mass843.36
IUPAC NameN-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H45N3/c1-63(2)54-27-14-12-25-51(54)62-55(63)28-17-31-58(62)64(47-36-32-43(33-37-47)42-18-6-3-7-19-42)48-38-34-44(35-39-48)49-26-16-30-57-61(49)53-40-52-50-24-13-15-29-56(50)65(45-20-8-4-9-21-45)59(52)41-60(53)66(57)46-22-10-5-11-23-46/h3-41H,1-2H3
InChIKeyKOYLJKRYLRISJC-UHFFFAOYSA-N
XLogP16.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 158020645
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(1-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(4-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 158052974
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 121358635) is N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is KOYLJKRYLRISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3/c1-63(2)54-27-14-12-25-51(54)62-55(63)28-17-31-58(62)64(47-36-32-43(33-37-47)42-18-6-3-7-19-42)48-38-34-44(35-39-48)49-26-16-30-57-61(49)53-40-52-50-24-13-15-29-56(50)65(45-20-8-4-9-21-45)59(52)41-60(53)66(57)46-22-10-5-11-23-46/h3-41H,1-2H3.
What are the key properties of N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 844.07 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 121358635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).