3-anthracen-9-yl-1H-benzo[g]indole

C26H17N — CID 170135106

IUPAC3-anthracen-9-yl-1H-benzo[g]indole
SMILESc1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H
InChIKeyQPVXUJDYZDDEDJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP7.29
Rot. Bonds1

About 3-anthracen-9-yl-1H-benzo[g]indole

3-anthracen-9-yl-1H-benzo[g]indole (PubChem CID 170135106) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-anthracen-9-yl-1H-benzo[g]indole.

Molecular Properties

Compound Name3-anthracen-9-yl-1H-benzo[g]indole
PubChem CID170135106
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name3-anthracen-9-yl-1H-benzo[g]indole
SMILESc1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H
InChIKeyQPVXUJDYZDDEDJ-UHFFFAOYSA-N
XLogP7.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(1H-benzo[g]indol-3-yl)-6-methoxynaphthalen-2-ol
CID 142739888
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
1H-benzo[g]indole-3-carboxylic acid
CID 12505804
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
9-[1-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 140565979
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-1H-benzo[g]indole?
The IUPAC name of 3-anthracen-9-yl-1H-benzo[g]indole (CID 170135106) is 3-anthracen-9-yl-1H-benzo[g]indole.
What is the SMILES notation for 3-anthracen-9-yl-1H-benzo[g]indole?
The canonical SMILES for 3-anthracen-9-yl-1H-benzo[g]indole is c1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 3-anthracen-9-yl-1H-benzo[g]indole?
The InChIKey is QPVXUJDYZDDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H.
What are the key properties of 3-anthracen-9-yl-1H-benzo[g]indole?
3-anthracen-9-yl-1H-benzo[g]indole has a molecular weight of 343.43 g/mol, XLogP of 7.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-1H-benzo[g]indole is sourced from PubChem (CID 170135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).