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

C63H46N2 — CID 168790440

IUPACN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)ccc21
InChIInChI=1S/C63H46N2/c1-63(2)57-33-16-14-29-52(57)55-41-46(36-38-58(55)63)45-24-18-27-48(40-45)64(49-37-39-60-56(42-49)53-30-15-17-34-59(53)65(60)47-25-10-5-11-26-47)61-35-19-32-51(44-22-8-4-9-23-44)62(61)54-31-13-12-28-50(54)43-20-6-3-7-21-43/h3-42H,1-2H3
InChIKeyCOXCNWKQPIGERL-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

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

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (PubChem CID 168790440) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
PubChem CID168790440
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)ccc21
InChIInChI=1S/C63H46N2/c1-63(2)57-33-16-14-29-52(57)55-41-46(36-38-58(55)63)45-24-18-27-48(40-45)64(49-37-39-60-56(42-49)53-30-15-17-34-59(53)65(60)47-25-10-5-11-26-47)61-35-19-32-51(44-22-8-4-9-23-44)62(61)54-31-13-12-28-50(54)43-20-6-3-7-21-43/h3-42H,1-2H3
InChIKeyCOXCNWKQPIGERL-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-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789639
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168789107
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (CID 168790440) is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)ccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The InChIKey is COXCNWKQPIGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)57-33-16-14-29-52(57)55-41-46(36-38-58(55)63)45-24-18-27-48(40-45)64(49-37-39-60-56(42-49)53-30-15-17-34-59(53)65(60)47-25-10-5-11-26-47)61-35-19-32-51(44-22-8-4-9-23-44)62(61)54-31-13-12-28-50(54)43-20-6-3-7-21-43/h3-42H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
N-[3-(9,9-dimethylfluoren-3-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-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 168790440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).