11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole

C48H33N3 — CID 159182554

IUPAC11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1c3ccccc3[nH]c21.c1ccc2cc3c(cc2c1)[nH]c1ccccc13
InChIInChI=1S/3C16H11N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h3*1-10,17H
InChIKeyKNBVTTRTPJECRV-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.42
Rot. Bonds

About 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole

11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole (PubChem CID 159182554) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole.

Molecular Properties

Compound Name11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
PubChem CID159182554
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1c3ccccc3[nH]c21.c1ccc2cc3c(cc2c1)[nH]c1ccccc13
InChIInChI=1S/3C16H11N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h3*1-10,17H
InChIKeyKNBVTTRTPJECRV-UHFFFAOYSA-N
XLogP13.42
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Related Compounds

17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
CID 164721462
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole;9H-carbazole;9,10-dihydroacridine;N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-ylnaphthalen-2-amine
CID 160851380
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
7-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 126548001
8-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11H-benzo[a]carbazole
CID 90433601
3-azaheptacyclo[14.10.1.02,14.04,13.07,12.017,22.023,27]heptacosa-1,4(13),5,7,9,11,14,16(27),17,19,21,23,25-tridecaene
CID 118303819
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole?
The IUPAC name of 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole (CID 159182554) is 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole.
What is the SMILES notation for 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole?
The canonical SMILES for 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole is c1ccc2c(c1)ccc1[nH]c3ccccc3c12.c1ccc2c(c1)ccc1c3ccccc3[nH]c21.c1ccc2cc3c(cc2c1)[nH]c1ccccc13.
What is the InChIKey of 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole?
The InChIKey is KNBVTTRTPJECRV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H11N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h3*1-10,17H.
What are the key properties of 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole?
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole has a molecular weight of 651.81 g/mol, XLogP of 13.42, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole is sourced from PubChem (CID 159182554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).