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

C90H59N5 — CID 138701548

IUPAC3-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
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4cc(-c5ccc6c7cc8c(cc7n(-c7cccc9ccccc79)c6c5)c5ccccc5n8-c5cccc6ccccc56)c5cccc6ccc3c4c65)ccc21
InChIInChI=1S/C90H59N5/c1-2-91-79-49-44-65(92(63-28-5-3-6-29-63)81-38-18-24-57-21-9-12-32-67(57)81)53-75(79)76-54-66(45-50-80(76)91)93(64-30-7-4-8-31-64)85-48-43-62-51-74(72-36-17-27-60-41-47-73(85)90(62)89(60)72)61-42-46-71-78-56-87-77(55-88(78)95(86(71)52-61)83-40-20-26-59-23-11-14-34-69(59)83)70-35-15-16-37-84(70)94(87)82-39-19-25-58-22-10-13-33-68(58)82/h3-56H,2H2,1H3
InChIKeyTXJUHLJAGIGSTB-UHFFFAOYSA-N
MW1210.50 g/mol
LogP24.97
Rot. Bonds10

About 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

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 (PubChem CID 138701548) has the molecular formula C90H59N5 and a molecular weight of 1210.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID138701548
Molecular FormulaC90H59N5
Molecular Weight1210.50 g/mol
Exact Mass1209.48
IUPAC Name3-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
SMILESCCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4cc(-c5ccc6c7cc8c(cc7n(-c7cccc9ccccc79)c6c5)c5ccccc5n8-c5cccc6ccccc56)c5cccc6ccc3c4c65)ccc21
InChIInChI=1S/C90H59N5/c1-2-91-79-49-44-65(92(63-28-5-3-6-29-63)81-38-18-24-57-21-9-12-32-67(57)81)53-75(79)76-54-66(45-50-80(76)91)93(64-30-7-4-8-31-64)85-48-43-62-51-74(72-36-17-27-60-41-47-73(85)90(62)89(60)72)61-42-46-71-78-56-87-77(55-88(78)95(86(71)52-61)83-40-20-26-59-23-11-14-34-69(59)83)70-35-15-16-37-84(70)94(87)82-39-19-25-58-22-10-13-33-68(58)82/h3-56H,2H2,1H3
InChIKeyTXJUHLJAGIGSTB-UHFFFAOYSA-N
XLogP24.97
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.50
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118289313
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-[4-(9-naphthalen-1-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 58050142
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
N-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103040
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c2cc(N(c3ccccc3)c3ccc4cc(-c5ccc6c7cc8c(cc7n(-c7cccc9ccccc79)c6c5)c5ccccc5n8-c5cccc6ccccc56)c5cccc6ccc3c4c65)ccc21.
What is the InChIKey of 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?
The InChIKey is TXJUHLJAGIGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H59N5/c1-2-91-79-49-44-65(92(63-28-5-3-6-29-63)81-38-18-24-57-21-9-12-32-67(57)81)53-75(79)76-54-66(45-50-80(76)91)93(64-30-7-4-8-31-64)85-48-43-62-51-74(72-36-17-27-60-41-47-73(85)90(62)89(60)72)61-42-46-71-78-56-87-77(55-88(78)95(86(71)52-61)83-40-20-26-59-23-11-14-34-69(59)83)70-35-15-16-37-84(70)94(87)82-39-19-25-58-22-10-13-33-68(58)82/h3-56H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1210.50 g/mol, XLogP of 24.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138701548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).