9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

C63H46N2 — CID 118505785

IUPAC9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1
InChIInChI=1S/C63H46N2/c1-43-28-33-48(34-29-43)63(49-35-30-44(2)31-36-49)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-18-5-3-6-19-50)60-26-13-10-22-53(60)47-17-15-16-45(40-47)46-32-38-57-56-24-11-14-27-61(56)65(62(57)41-46)51-20-7-4-8-21-51/h3-42H,1-2H3
InChIKeyCYBBVFIINRPMTQ-UHFFFAOYSA-N
MW831.08 g/mol
LogP16.57
Rot. Bonds8

About 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 118505785) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID118505785
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1
InChIInChI=1S/C63H46N2/c1-43-28-33-48(34-29-43)63(49-35-30-44(2)31-36-49)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-18-5-3-6-19-50)60-26-13-10-22-53(60)47-17-15-16-45(40-47)46-32-38-57-56-24-11-14-27-61(56)65(62(57)41-46)51-20-7-4-8-21-51/h3-42H,1-2H3
InChIKeyCYBBVFIINRPMTQ-UHFFFAOYSA-N
XLogP16.57
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 ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 118462520
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505787
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166416
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 118505785) is 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1.
What is the InChIKey of 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is CYBBVFIINRPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-43-28-33-48(34-29-43)63(49-35-30-44(2)31-36-49)58-25-12-9-23-54(58)55-39-37-52(42-59(55)63)64(50-18-5-3-6-19-50)60-26-13-10-22-53(60)47-17-15-16-45(40-47)46-32-38-57-56-24-11-14-27-61(56)65(62(57)41-46)51-20-7-4-8-21-51/h3-42H,1-2H3.
What are the key properties of 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?
9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 831.08 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylphenyl)-N-phenyl-N-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 118505785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).