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

C63H46N2 — CID 118505806

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-33-28-45(29-34-50)43-16-5-3-6-17-43)60-26-13-10-22-53(60)49-21-15-20-47(40-49)48-32-38-57-56-24-11-14-27-61(56)65(62(57)41-48)51-35-30-46(31-36-51)44-18-7-4-8-19-44/h3-42H,1-2H3
InChIKeyISGZWQIMYJHGEI-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

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

9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine (PubChem CID 118505806) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
PubChem CID118505806
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-33-28-45(29-34-50)43-16-5-3-6-17-43)60-26-13-10-22-53(60)49-21-15-20-47(40-49)48-32-38-57-56-24-11-14-27-61(56)65(62(57)41-48)51-35-30-46(31-36-51)44-18-7-4-8-19-44/h3-42H,1-2H3
InChIKeyISGZWQIMYJHGEI-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

9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline;N-[2-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[2-[3-[6-phenyl-9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 157435887
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 71038398
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine (CID 118505806) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine?
The InChIKey is ISGZWQIMYJHGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-33-28-45(29-34-50)43-16-5-3-6-17-43)60-26-13-10-22-53(60)49-21-15-20-47(40-49)48-32-38-57-56-24-11-14-27-61(56)65(62(57)41-48)51-35-30-46(31-36-51)44-18-7-4-8-19-44/h3-42H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-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 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 118505806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).