[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol

C96H69N5O2 — CID 147446176

IUPAC[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
SMILESOCc1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4cc(N(c6ccc(-c7ccc(N(c8ccc(CO)cc8)c8cccc9ccccc89)cc7)cc6)c6cccc7ccccc67)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C96H69N5O2/c102-64-66-34-46-77(47-35-66)97(91-30-12-20-72-16-4-8-26-85(72)91)79-50-38-68(39-51-79)70-42-54-81(55-43-70)99(93-32-14-22-74-18-6-10-28-87(74)93)83-58-60-95-89(62-83)90-63-84(59-61-96(90)101(95)76-24-2-1-3-25-76)100(94-33-15-23-75-19-7-11-29-88(75)94)82-56-44-71(45-57-82)69-40-52-80(53-41-69)98(78-48-36-67(65-103)37-49-78)92-31-13-21-73-17-5-9-27-86(73)92/h1-63,102-103H,64-65H2
InChIKeyDXDVJRNDPMSKMG-UHFFFAOYSA-N
MW1324.64 g/mol
LogP25.59
Rot. Bonds17

About [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol

[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol (PubChem CID 147446176) has the molecular formula C96H69N5O2 and a molecular weight of 1324.64 g/mol. Its IUPAC name is [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
PubChem CID147446176
Molecular FormulaC96H69N5O2
Molecular Weight1324.64 g/mol
Exact Mass1323.55
IUPAC Name[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
SMILESOCc1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4cc(N(c6ccc(-c7ccc(N(c8ccc(CO)cc8)c8cccc9ccccc89)cc7)cc6)c6cccc7ccccc67)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C96H69N5O2/c102-64-66-34-46-77(47-35-66)97(91-30-12-20-72-16-4-8-26-85(72)91)79-50-38-68(39-51-79)70-42-54-81(55-43-70)99(93-32-14-22-74-18-6-10-28-87(74)93)83-58-60-95-89(62-83)90-63-84(59-61-96(90)101(95)76-24-2-1-3-25-76)100(94-33-15-23-75-19-7-11-29-88(75)94)82-56-44-71(45-57-82)69-40-52-80(53-41-69)98(78-48-36-67(65-103)37-49-78)92-31-13-21-73-17-5-9-27-86(73)92/h1-63,102-103H,64-65H2
InChIKeyDXDVJRNDPMSKMG-UHFFFAOYSA-N
XLogP25.59
TPSA58.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001324.64
LogP ≤ 525.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol with MolForge

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Related Compounds

N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol?
The IUPAC name of [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol (CID 147446176) is [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol.
What is the SMILES notation for [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol?
The canonical SMILES for [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol is OCc1ccc(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4cc(N(c6ccc(-c7ccc(N(c8ccc(CO)cc8)c8cccc9ccccc89)cc7)cc6)c6cccc7ccccc67)ccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol?
The InChIKey is DXDVJRNDPMSKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H69N5O2/c102-64-66-34-46-77(47-35-66)97(91-30-12-20-72-16-4-8-26-85(72)91)79-50-38-68(39-51-79)70-42-54-81(55-43-70)99(93-32-14-22-74-18-6-10-28-87(74)93)83-58-60-95-89(62-83)90-63-84(59-61-96(90)101(95)76-24-2-1-3-25-76)100(94-33-15-23-75-19-7-11-29-88(75)94)82-56-44-71(45-57-82)69-40-52-80(53-41-69)98(78-48-36-67(65-103)37-49-78)92-31-13-21-73-17-5-9-27-86(73)92/h1-63,102-103H,64-65H2.
What are the key properties of [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol?
[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol has a molecular weight of 1324.64 g/mol, XLogP of 25.59, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol is sourced from PubChem (CID 147446176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).