5,6-dihydrobenzo[i]phenanthridine

C17H13N — CID 165358005

IUPAC5,6-dihydrobenzo[i]phenanthridine
SMILESc1ccc2c(c1)NCc1c-2ccc2ccccc12
InChIInChI=1S/C17H13N/c1-2-6-13-12(5-1)9-10-14-15-7-3-4-8-17(15)18-11-16(13)14/h1-10,18H,11H2
InChIKeyAQULYNXNBQEPSG-UHFFFAOYSA-N
MW231.30 g/mol
LogP4.43
Rot. Bonds

About 5,6-dihydrobenzo[i]phenanthridine

5,6-dihydrobenzo[i]phenanthridine (PubChem CID 165358005) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,6-dihydrobenzo[i]phenanthridine.

Molecular Properties

Compound Name5,6-dihydrobenzo[i]phenanthridine
PubChem CID165358005
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name5,6-dihydrobenzo[i]phenanthridine
SMILESc1ccc2c(c1)NCc1c-2ccc2ccccc12
InChIInChI=1S/C17H13N/c1-2-6-13-12(5-1)9-10-14-15-7-3-4-8-17(15)18-11-16(13)14/h1-10,18H,11H2
InChIKeyAQULYNXNBQEPSG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157
8-methylpentacyclo[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 159418774
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
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
9-methoxy-11H-benzo[a]fluorene
CID 13401823
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[i]phenanthridine?
The IUPAC name of 5,6-dihydrobenzo[i]phenanthridine (CID 165358005) is 5,6-dihydrobenzo[i]phenanthridine.
What is the SMILES notation for 5,6-dihydrobenzo[i]phenanthridine?
The canonical SMILES for 5,6-dihydrobenzo[i]phenanthridine is c1ccc2c(c1)NCc1c-2ccc2ccccc12.
What is the InChIKey of 5,6-dihydrobenzo[i]phenanthridine?
The InChIKey is AQULYNXNBQEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-2-6-13-12(5-1)9-10-14-15-7-3-4-8-17(15)18-11-16(13)14/h1-10,18H,11H2.
What are the key properties of 5,6-dihydrobenzo[i]phenanthridine?
5,6-dihydrobenzo[i]phenanthridine has a molecular weight of 231.30 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[i]phenanthridine is sourced from PubChem (CID 165358005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).