4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C68H54N2 — CID 169028748

IUPAC4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)c23)cc1
InChIInChI=1S/C68H54N2/c1-3-12-51(13-4-1)60-19-9-14-54-15-10-20-61(66(54)60)52-28-36-58(37-29-52)69(57-34-26-50(27-35-57)49-24-32-55(33-25-49)68-43-46-40-47(44-68)42-48(41-46)45-68)59-38-30-53(31-39-59)62-21-11-23-65-67(62)63-18-7-8-22-64(63)70(65)56-16-5-2-6-17-56/h1-39,46-48H,40-45H2
InChIKeyQZAICYZQMCAYRA-UHFFFAOYSA-N
MW899.19 g/mol
LogP18.54
Rot. Bonds9

About 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 169028748) has the molecular formula C68H54N2 and a molecular weight of 899.19 g/mol. Its IUPAC name is 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID169028748
Molecular FormulaC68H54N2
Molecular Weight899.19 g/mol
Exact Mass898.43
IUPAC Name4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)c23)cc1
InChIInChI=1S/C68H54N2/c1-3-12-51(13-4-1)60-19-9-14-54-15-10-20-61(66(54)60)52-28-36-58(37-29-52)69(57-34-26-50(27-35-57)49-24-32-55(33-25-49)68-43-46-40-47(44-68)42-48(41-46)45-68)59-38-30-53(31-39-59)62-21-11-23-65-67(62)63-18-7-8-22-64(63)70(65)56-16-5-2-6-17-56/h1-39,46-48H,40-45H2
InChIKeyQZAICYZQMCAYRA-UHFFFAOYSA-N
XLogP18.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.19
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028546
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028274
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 169028688
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 169028373
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 169028748) is 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)c23)cc1.
What is the InChIKey of 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is QZAICYZQMCAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2/c1-3-12-51(13-4-1)60-19-9-14-54-15-10-20-61(66(54)60)52-28-36-58(37-29-52)69(57-34-26-50(27-35-57)49-24-32-55(33-25-49)68-43-46-40-47(44-68)42-48(41-46)45-68)59-38-30-53(31-39-59)62-21-11-23-65-67(62)63-18-7-8-22-64(63)70(65)56-16-5-2-6-17-56/h1-39,46-48H,40-45H2.
What are the key properties of 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 899.19 g/mol, XLogP of 18.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-adamantyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 169028748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).