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

C63H46N2 — CID 166660654

IUPAC2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)cc21
InChIInChI=1S/C63H46N2/c1-63(2)57-27-12-9-24-54(57)55-40-39-51(42-58(55)63)65-60-29-14-11-25-56(60)62-53(26-16-30-61(62)65)48-20-15-19-47(41-48)52-23-10-13-28-59(52)64(49-21-7-4-8-22-49)50-37-35-46(36-38-50)45-33-31-44(32-34-45)43-17-5-3-6-18-43/h3-42H,1-2H3
InChIKeyQJJDRTJVAKNOCL-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

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

2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166660654) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166660654
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)cc21
InChIInChI=1S/C63H46N2/c1-63(2)57-27-12-9-24-54(57)55-40-39-51(42-58(55)63)65-60-29-14-11-25-56(60)62-53(26-16-30-61(62)65)48-20-15-19-47(41-48)52-23-10-13-28-59(52)64(49-21-7-4-8-22-49)50-37-35-46(36-38-50)45-33-31-44(32-34-45)43-17-5-3-6-18-43/h3-42H,1-2H3
InChIKeyQJJDRTJVAKNOCL-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

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
CID 118289325
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170142720
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166660654) is 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6N(c6ccccc6)c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5)cccc43)cc21.
What is the InChIKey of 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is QJJDRTJVAKNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)57-27-12-9-24-54(57)55-40-39-51(42-58(55)63)65-60-29-14-11-25-56(60)62-53(26-16-30-61(62)65)48-20-15-19-47(41-48)52-23-10-13-28-59(52)64(49-21-7-4-8-22-49)50-37-35-46(36-38-50)45-33-31-44(32-34-45)43-17-5-3-6-18-43/h3-42H,1-2H3.
What are the key properties of 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline 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 2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).