N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine

C63H46N2 — CID 168788548

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-32-16-14-29-54(56)61-50(30-18-33-57(61)63)45-36-38-47(39-37-45)64(48-40-41-59-55(42-48)52-27-15-17-34-58(52)65(59)46-24-10-5-11-25-46)60-35-19-31-51(44-22-8-4-9-23-44)62(60)53-28-13-12-26-49(53)43-20-6-3-7-21-43/h3-42H,1-2H3
InChIKeyKUVKFUZJYBDNGQ-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (PubChem CID 168788548) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
PubChem CID168788548
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-32-16-14-29-54(56)61-50(30-18-33-57(61)63)45-36-38-47(39-37-45)64(48-40-41-59-55(42-48)52-27-15-17-34-58(52)65(59)46-24-10-5-11-25-46)60-35-19-31-51(44-22-8-4-9-23-44)62(60)53-28-13-12-26-49(53)43-20-6-3-7-21-43/h3-42H,1-2H3
InChIKeyKUVKFUZJYBDNGQ-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168789107
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
9,9-dimethyl-5-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155153906
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (CID 168788548) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The InChIKey is KUVKFUZJYBDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)56-32-16-14-29-54(56)61-50(30-18-33-57(61)63)45-36-38-47(39-37-45)64(48-40-41-59-55(42-48)52-27-15-17-34-58(52)65(59)46-24-10-5-11-25-46)60-35-19-31-51(44-22-8-4-9-23-44)62(60)53-28-13-12-26-49(53)43-20-6-3-7-21-43/h3-42H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine has a molecular weight of 831.08 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 168788548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).