naphtho[1,2-b]phenanthrene

C22H14 — CID 5889

IUPACnaphtho[1,2-b]phenanthrene
SMILESc1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
InChIInChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
InChIKeyLHRCREOYAASXPZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP6.30
Rot. Bonds

About naphtho[1,2-b]phenanthrene

naphtho[1,2-b]phenanthrene (PubChem CID 5889) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is naphtho[1,2-b]phenanthrene.

Molecular Properties

Compound Namenaphtho[1,2-b]phenanthrene
PubChem CID5889
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Namenaphtho[1,2-b]phenanthrene
SMILESc1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
InChIInChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
InChIKeyLHRCREOYAASXPZ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
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
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[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
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
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
benzo[a]anthracene;formonitrile
CID 155409375
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
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
phenanthrene;sulfane
CID 159172584

Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-b]phenanthrene?
The IUPAC name of naphtho[1,2-b]phenanthrene (CID 5889) is naphtho[1,2-b]phenanthrene.
What is the SMILES notation for naphtho[1,2-b]phenanthrene?
The canonical SMILES for naphtho[1,2-b]phenanthrene is c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12.
What is the InChIKey of naphtho[1,2-b]phenanthrene?
The InChIKey is LHRCREOYAASXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H.
What are the key properties of naphtho[1,2-b]phenanthrene?
naphtho[1,2-b]phenanthrene has a molecular weight of 278.35 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-b]phenanthrene is sourced from PubChem (CID 5889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).