Indolocarbazole deriv. 14l

Name: Indolocarbazole deriv. 14l — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₂₈N₄O₂ — CID 5330787

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[3-(diethylamino)propyl]-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione

SMILESCCN(CC)CCCc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O

InChIInChI=1S/C28H28N4O2/c1-4-32(5-2)14-7-9-16-8-6-10-18-20-22-23(28(34)30-27(22)33)21-19(25(20)29-24(16)18)12-11-17-13-15-31(3)26(17)21/h6,8,10-13,15,29H,4-5,7,9,14H2,1-3H3,(H,30,33,34)

InChIKeyDJKBFCHOHWZUOH-UHFFFAOYSA-N

MW452.56 g/mol

LogP5.12

Rot. Bonds6

About Indolocarbazole deriv. 14l

Indolocarbazole deriv. 14l (PubChem CID 5330787) has the molecular formula C₂₈H₂₈N₄O₂ and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyl]-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione.

Molecular Properties

Compound Name	Indolocarbazole deriv. 14l
PubChem CID	5330787
Molecular Formula	C₂₈H₂₈N₄O₂
Molecular Weight	452.56 g/mol
Exact Mass	452.22
IUPAC Name	5-[3-(diethylamino)propyl]-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione
SMILES	CCN(CC)CCCc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O
InChI	InChI=1S/C28H28N4O2/c1-4-32(5-2)14-7-9-16-8-6-10-18-20-22-23(28(34)30-27(22)33)21-19(25(20)29-24(16)18)12-11-17-13-15-31(3)26(17)21/h6,8,10-13,15,29H,4-5,7,9,14H2,1-3H3,(H,30,33,34)
InChIKey	DJKBFCHOHWZUOH-UHFFFAOYSA-N
XLogP	5.12
TPSA	70.13 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Indolocarbazole deriv. 14l?

The IUPAC name of Indolocarbazole deriv. 14l (CID 5330787) is 5-[3-(diethylamino)propyl]-18-methyl-3,13,18-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17(21),19,22-nonaene-12,14-dione.

What is the SMILES notation for Indolocarbazole deriv. 14l?

The canonical SMILES for Indolocarbazole deriv. 14l is CCN(CC)CCCc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O.

What is the InChIKey of Indolocarbazole deriv. 14l?

The InChIKey is DJKBFCHOHWZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-32(5-2)14-7-9-16-8-6-10-18-20-22-23(28(34)30-27(22)33)21-19(25(20)29-24(16)18)12-11-17-13-15-31(3)26(17)21/h6,8,10-13,15,29H,4-5,7,9,14H2,1-3H3,(H,30,33,34).

What are the key properties of Indolocarbazole deriv. 14l?

Indolocarbazole deriv. 14l has a molecular weight of 452.56 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Indolocarbazole deriv. 14l is sourced from PubChem (CID 5330787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 5330787 — identifiers, structure, computed properties (public domain)

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