N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C71H48N2 — CID 168798245

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C71H48N2/c1-3-21-51(22-4-1)56-32-19-23-52-24-20-33-62(70(52)56)61-31-11-17-39-68(61)73(55-47-43-50(44-48-55)49-41-45-54(46-42-49)72-66-37-15-9-29-59(66)60-30-10-16-38-67(60)72)69-40-18-14-36-65(69)71(53-25-5-2-6-26-53)63-34-12-7-27-57(63)58-28-8-13-35-64(58)71/h1-48H
InChIKeyFIOZOSKLKOYGQH-UHFFFAOYSA-N
MW929.18 g/mol
LogP18.77
Rot. Bonds9

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 168798245) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID168798245
Molecular FormulaC71H48N2
Molecular Weight929.18 g/mol
Exact Mass928.38
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c23)cc1
InChIInChI=1S/C71H48N2/c1-3-21-51(22-4-1)56-32-19-23-52-24-20-33-62(70(52)56)61-31-11-17-39-68(61)73(55-47-43-50(44-48-55)49-41-45-54(46-42-49)72-66-37-15-9-29-59(66)60-30-10-16-38-67(60)72)69-40-18-14-36-65(69)71(53-25-5-2-6-26-53)63-34-12-7-27-57(63)58-28-8-13-35-64(58)71/h1-48H
InChIKeyFIOZOSKLKOYGQH-UHFFFAOYSA-N
XLogP18.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.18
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-11-amine
CID 169285541
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304205
9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304169
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 168798245) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)c23)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is FIOZOSKLKOYGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2/c1-3-21-51(22-4-1)56-32-19-23-52-24-20-33-62(70(52)56)61-31-11-17-39-68(61)73(55-47-43-50(44-48-55)49-41-45-54(46-42-49)72-66-37-15-9-29-59(66)60-30-10-16-38-67(60)72)69-40-18-14-36-65(69)71(53-25-5-2-6-26-53)63-34-12-7-27-57(63)58-28-8-13-35-64(58)71/h1-48H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 929.18 g/mol, XLogP of 18.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 168798245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).