9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine

C109H83N7 — CID 130271558

IUPAC9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5c(-c6cc(C)cc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)c6)ccc6ccc3c4c65)ccc21
InChIInChI=1S/C109H83N7/c1-5-110-104-66-60-95(115(85-36-17-9-18-37-85)106-43-25-29-78-28-21-22-42-99(78)106)73-102(104)103-74-96(61-67-105(103)110)116(86-38-19-10-20-39-86)107-65-47-80-45-63-100-98(62-44-79-46-64-101(107)109(80)108(79)100)81-68-77(4)71-97(72-81)114(84-34-15-8-16-35-84)92-58-52-89(53-59-92)111(87-48-54-90(55-49-87)112(82-30-11-6-12-31-82)93-40-23-26-75(2)69-93)88-50-56-91(57-51-88)113(83-32-13-7-14-33-83)94-41-24-27-76(3)70-94/h6-74H,5H2,1-4H3
InChIKeyIBFCVOBXVYKHMV-UHFFFAOYSA-N
MW1490.91 g/mol
LogP31.28
Rot. Bonds20

About 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine

9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine (PubChem CID 130271558) has the molecular formula C109H83N7 and a molecular weight of 1490.91 g/mol. Its IUPAC name is 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
PubChem CID130271558
Molecular FormulaC109H83N7
Molecular Weight1490.91 g/mol
Exact Mass1489.67
IUPAC Name9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5c(-c6cc(C)cc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)c6)ccc6ccc3c4c65)ccc21
InChIInChI=1S/C109H83N7/c1-5-110-104-66-60-95(115(85-36-17-9-18-37-85)106-43-25-29-78-28-21-22-42-99(78)106)73-102(104)103-74-96(61-67-105(103)110)116(86-38-19-10-20-39-86)107-65-47-80-45-63-100-98(62-44-79-46-64-101(107)109(80)108(79)100)81-68-77(4)71-97(72-81)114(84-34-15-8-16-35-84)92-58-52-89(53-59-92)111(87-48-54-90(55-49-87)112(82-30-11-6-12-31-82)93-40-23-26-75(2)69-93)88-50-56-91(57-51-88)113(83-32-13-7-14-33-83)94-41-24-27-76(3)70-94/h6-74H,5H2,1-4H3
InChIKeyIBFCVOBXVYKHMV-UHFFFAOYSA-N
XLogP31.28
TPSA24.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.91
LogP ≤ 531.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine with MolForge

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Related Compounds

9-ethyl-3-N-[5-[2-methyl-4-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 134387493
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
3-N-[5-(5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-yl)pyren-1-yl]-9-ethyl-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 138701548
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
CID 159251901
CID 159251901
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
1-N,6-N-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58322160
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The IUPAC name of 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine (CID 130271558) is 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine is CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4ccc5c(-c6cc(C)cc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)c6)ccc6ccc3c4c65)ccc21.
What is the InChIKey of 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
The InChIKey is IBFCVOBXVYKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H83N7/c1-5-110-104-66-60-95(115(85-36-17-9-18-37-85)106-43-25-29-78-28-21-22-42-99(78)106)73-102(104)103-74-96(61-67-105(103)110)116(86-38-19-10-20-39-86)107-65-47-80-45-63-100-98(62-44-79-46-64-101(107)109(80)108(79)100)81-68-77(4)71-97(72-81)114(84-34-15-8-16-35-84)92-58-52-89(53-59-92)111(87-48-54-90(55-49-87)112(82-30-11-6-12-31-82)93-40-23-26-75(2)69-93)88-50-56-91(57-51-88)113(83-32-13-7-14-33-83)94-41-24-27-76(3)70-94/h6-74H,5H2,1-4H3.
What are the key properties of 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine?
9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine has a molecular weight of 1490.91 g/mol, XLogP of 31.28, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-N-[6-[3-methyl-5-(N-[4-[4-(N-(3-methylphenyl)anilino)-N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino)phenyl]pyren-1-yl]-6-N-naphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine is sourced from PubChem (CID 130271558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).