9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine

C67H48N2 — CID 169016086

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)c34)ccc21
InChIInChI=1S/C67H48N2/c1-67(2)61-34-12-9-27-53(61)60-44-52(41-42-62(60)67)68(50-39-37-47(38-40-50)45-19-5-3-6-20-45)63-35-13-10-28-54(63)56-30-16-23-48-24-17-31-57(65(48)56)59-33-18-32-58-55-29-11-14-36-64(55)69(66(58)59)51-26-15-25-49(43-51)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyKTWVMXWNGIXLSQ-UHFFFAOYSA-N
MW881.14 g/mol
LogP18.38
Rot. Bonds8

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine (PubChem CID 169016086) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
PubChem CID169016086
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)c34)ccc21
InChIInChI=1S/C67H48N2/c1-67(2)61-34-12-9-27-53(61)60-44-52(41-42-62(60)67)68(50-39-37-47(38-40-50)45-19-5-3-6-20-45)63-35-13-10-28-54(63)56-30-16-23-48-24-17-31-57(65(48)56)59-33-18-32-58-55-29-11-14-36-64(55)69(66(58)59)51-26-15-25-49(43-51)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyKTWVMXWNGIXLSQ-UHFFFAOYSA-N
XLogP18.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665708
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
N-[4-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-(7-carbazol-9-yl-4-phenylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158279061
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-(4-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]-3'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-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]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-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]-3'-amine
CID 161348172
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine (CID 169016086) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)c34)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine?
The InChIKey is KTWVMXWNGIXLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)61-34-12-9-27-53(61)60-44-52(41-42-62(60)67)68(50-39-37-47(38-40-50)45-19-5-3-6-20-45)63-35-13-10-28-54(63)56-30-16-23-48-24-17-31-57(65(48)56)59-33-18-32-58-55-29-11-14-36-64(55)69(66(58)59)51-26-15-25-49(43-51)46-21-7-4-8-22-46/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine has a molecular weight of 881.14 g/mol, XLogP of 18.38, 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-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine is sourced from PubChem (CID 169016086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).