5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine

C38H25N3 — CID 59742334

IUPAC5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
SMILESNc1ccc2c3cc4c(cc3n(-c3cccc5ccccc35)c2c1)c1ccccc1n4-c1cccc2ccccc12
InChIInChI=1S/C38H25N3/c39-26-19-20-30-32-23-37-31(22-38(32)41(36(30)21-26)34-18-8-12-25-10-2-4-14-28(25)34)29-15-5-6-16-35(29)40(37)33-17-7-11-24-9-1-3-13-27(24)33/h1-23H,39H2
InChIKeyXICKRNRNVNAURS-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.77
Rot. Bonds2

About 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine

5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine (PubChem CID 59742334) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine.

Molecular Properties

Compound Name5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
PubChem CID59742334
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
SMILESNc1ccc2c3cc4c(cc3n(-c3cccc5ccccc35)c2c1)c1ccccc1n4-c1cccc2ccccc12
InChIInChI=1S/C38H25N3/c39-26-19-20-30-32-23-37-31(22-38(32)41(36(30)21-26)34-18-8-12-25-10-2-4-14-28(25)34)29-15-5-6-16-35(29)40(37)33-17-7-11-24-9-1-3-13-27(24)33/h1-23H,39H2
InChIKeyXICKRNRNVNAURS-UHFFFAOYSA-N
XLogP9.77
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
CID 142740278
11-(7,8-didehydronaphthalen-1-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 152929477
2-(9-naphthalen-1-ylcarbazol-2-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651807
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
11-naphthalen-1-yl-5-(8-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 167157220
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
CID 154947539
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole
CID 158059321
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895

Frequently Asked Questions

What is the IUPAC name of 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine?
The IUPAC name of 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine (CID 59742334) is 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine.
What is the SMILES notation for 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine?
The canonical SMILES for 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine is Nc1ccc2c3cc4c(cc3n(-c3cccc5ccccc35)c2c1)c1ccccc1n4-c1cccc2ccccc12.
What is the InChIKey of 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine?
The InChIKey is XICKRNRNVNAURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c39-26-19-20-30-32-23-37-31(22-38(32)41(36(30)21-26)34-18-8-12-25-10-2-4-14-28(25)34)29-15-5-6-16-35(29)40(37)33-17-7-11-24-9-1-3-13-27(24)33/h1-23H,39H2.
What are the key properties of 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine?
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine has a molecular weight of 523.64 g/mol, XLogP of 9.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine is sourced from PubChem (CID 59742334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).