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

C63H46N2 — CID 168790539

IUPACN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-33-17-14-29-51(56)54-41-45(37-39-57(54)63)49-28-15-18-34-58(49)65(47-38-40-60-55(42-47)52-30-16-19-35-59(52)64(60)46-25-10-5-11-26-46)61-36-20-32-50(44-23-8-4-9-24-44)62(61)53-31-13-12-27-48(53)43-21-6-3-7-22-43/h3-42H,1-2H3
InChIKeyVDUGRSOHIHKDOM-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

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

N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (PubChem CID 168790539) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
PubChem CID168790539
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-33-17-14-29-51(56)54-41-45(37-39-57(54)63)49-28-15-18-34-58(49)65(47-38-40-60-55(42-47)52-30-16-19-35-59(52)64(60)46-25-10-5-11-26-46)61-36-20-32-50(44-23-8-4-9-24-44)62(61)53-31-13-12-27-48(53)43-21-6-3-7-22-43/h3-42H,1-2H3
InChIKeyVDUGRSOHIHKDOM-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-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
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-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168789107
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
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-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
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
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (CID 168790539) is N-[2-(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-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The InChIKey is VDUGRSOHIHKDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)56-33-17-14-29-51(56)54-41-45(37-39-57(54)63)49-28-15-18-34-58(49)65(47-38-40-60-55(42-47)52-30-16-19-35-59(52)64(60)46-25-10-5-11-26-46)61-36-20-32-50(44-23-8-4-9-24-44)62(61)53-31-13-12-27-48(53)43-21-6-3-7-22-43/h3-42H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
N-[2-(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-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 168790539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).