3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

C135H83Cl5N2O8 — CID 162221292

About 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (PubChem CID 162221292) has the molecular formula C135H83Cl5N2O8 and a molecular weight of 2038.42 g/mol. Its IUPAC name is 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

Molecular Properties

• Compound Name: 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
• PubChem CID: 162221292
• Molecular Formula: C135H83Cl5N2O8
• Molecular Weight: 2038.42 g/mol
• Exact Mass: 2034.46
• IUPAC Name: 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
• SMILES: Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Cc1cc2ccc3cc(Cl)ccc3c2c2c(O)cccc12.Oc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Oc1cc2ccc3cc(Cl)ccc3c2c2c(O)cccc12.c1ccc(N(c2ccccc2)c2cc3c4c(ccc5cc(N(c6ccccc6)c6ccccc6)c6cccc(c6c54)O3)c2)cc1
• InChI: InChI=1S/C42H28N2O.2C19H11ClO.C19H13ClO.C18H9ClO2.C18H11ClO2/c1-5-14-31(15-6-1)43(32-16-7-2-8-17-32)35-26-29-24-25-30-27-37(44(33-18-9-3-10-19-33)34-20-11-4-12-21-34)36-22-13-23-38-42(36)41(30)40(29)39(28-35)45-38;2*1-10-7-11-5-6-12-8-13(20)9-16-17(12)18(11)19-14(10)3-2-4-15(19)21-16;1-11-9-13-6-5-12-10-14(20)7-8-16(12)18(13)19-15(11)3-2-4-17(19)21;19-11-6-9-4-5-10-7-13(20)12-2-1-3-14-18(12)17(10)16(9)15(8-11)21-14;19-12-6-7-13-10(8-12)4-5-11-9-16(21)14-2-1-3-15(20)18(14)17(11)13/h1-28H;2*2-9H,1H3;2-10,21H,1H3;1-8,20H;1-9,20-21H
• InChIKey: ZUDUAVKGTCXIRV-UHFFFAOYSA-N
• XLogP: 41.25
• TPSA: 124.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2038.42
LogP ≤ 5	41.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The IUPAC name of 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (CID 162221292) is 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

What is the SMILES notation for 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The canonical SMILES for 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Cc1cc2ccc3cc(Cl)ccc3c2c2c(O)cccc12.Oc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Oc1cc2ccc3cc(Cl)ccc3c2c2c(O)cccc12.c1ccc(N(c2ccccc2)c2cc3c4c(ccc5cc(N(c6ccccc6)c6ccccc6)c6cccc(c6c54)O3)c2)cc1.

What is the InChIKey of 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The InChIKey is ZUDUAVKGTCXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O.2C19H11ClO.C19H13ClO.C18H9ClO2.C18H11ClO2/c1-5-14-31(15-6-1)43(32-16-7-2-8-17-32)35-26-29-24-25-30-27-37(44(33-18-9-3-10-19-33)34-20-11-4-12-21-34)36-22-13-23-38-42(36)41(30)40(29)39(28-35)45-38;2*1-10-7-11-5-6-12-8-13(20)9-16-17(12)18(11)19-14(10)3-2-4-15(19)21-16;1-11-9-13-6-5-12-10-14(20)7-8-16(12)18(13)19-15(11)3-2-4-17(19)21;19-11-6-9-4-5-10-7-13(20)12-2-1-3-14-18(12)17(10)16(9)15(8-11)21-14;19-12-6-7-13-10(8-12)4-5-11-9-16(21)14-2-1-3-15(20)18(14)17(11)13/h1-28H;2*2-9H,1H3;2-10,21H,1H3;1-8,20H;1-9,20-21H.

What are the key properties of 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine has a molecular weight of 2038.42 g/mol, XLogP of 41.25, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chlorobenzo[c]phenanthrene-8,12-diol;3-chloro-8-methylbenzo[c]phenanthren-12-ol;bis(3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene);13-chloro-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-ol;3-N,3-N,10-N,10-N-tetraphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is sourced from PubChem (CID 162221292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).