7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol

C121H97Br3N12O5 — CID 163630203

IUPAC7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESBrc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.Cc1cc(-c2ccc(O)cc2)[nH]c2ccc3nccc3c12.Oc1c(Br)cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1Br.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1
InChIInChI=1S/C22H20N2O.C21H16Br2N2O.C21H17BrN2.C20H16N2O.C19H14N2O.C18H14N2O/c1-13-2-7-16-18(12-13)22(14-3-5-15(25)6-4-14)24-20-9-8-19-17(21(16)20)10-11-23-19;22-15-9-11(10-16(23)21(15)26)20-13-4-2-1-3-12(13)19-14-7-8-24-17(14)5-6-18(19)25-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;23-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-21-17(16)8-9-18(19)22-20;22-12-3-1-11(2-4-12)19-14-6-5-13(14)18-15-9-10-20-16(15)7-8-17(18)21-19;1-11-10-17(12-2-4-13(21)5-3-12)20-16-7-6-15-14(18(11)16)8-9-19-15/h3-6,8-11,13,24-25H,2,7,12H2,1H3;5-10,25-26H,1-4H2;5-12,24H,1-4H2;4-11,22-23H,1-3H2;1-4,7-10,21-22H,5-6H2;2-10,20-21H,1H3
InChIKeyZCKWHAFPBQKCRP-UHFFFAOYSA-N
MW2038.90 g/mol
LogP30.89
Rot. Bonds6

About 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol

7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol (PubChem CID 163630203) has the molecular formula C121H97Br3N12O5 and a molecular weight of 2038.90 g/mol. Its IUPAC name is 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
PubChem CID163630203
Molecular FormulaC121H97Br3N12O5
Molecular Weight2038.90 g/mol
Exact Mass2034.53
IUPAC Name7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESBrc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.Cc1cc(-c2ccc(O)cc2)[nH]c2ccc3nccc3c12.Oc1c(Br)cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1Br.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1
InChIInChI=1S/C22H20N2O.C21H16Br2N2O.C21H17BrN2.C20H16N2O.C19H14N2O.C18H14N2O/c1-13-2-7-16-18(12-13)22(14-3-5-15(25)6-4-14)24-20-9-8-19-17(21(16)20)10-11-23-19;22-15-9-11(10-16(23)21(15)26)20-13-4-2-1-3-12(13)19-14-7-8-24-17(14)5-6-18(19)25-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;23-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-21-17(16)8-9-18(19)22-20;22-12-3-1-11(2-4-12)19-14-6-5-13(14)18-15-9-10-20-16(15)7-8-17(18)21-19;1-11-10-17(12-2-4-13(21)5-3-12)20-16-7-6-15-14(18(11)16)8-9-19-15/h3-6,8-11,13,24-25H,2,7,12H2,1H3;5-10,25-26H,1-4H2;5-12,24H,1-4H2;4-11,22-23H,1-3H2;1-4,7-10,21-22H,5-6H2;2-10,20-21H,1H3
InChIKeyZCKWHAFPBQKCRP-UHFFFAOYSA-N
XLogP30.89
TPSA273.23 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002038.90
LogP ≤ 530.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The IUPAC name of 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol (CID 163630203) is 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol is Brc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.Cc1cc(-c2ccc(O)cc2)[nH]c2ccc3nccc3c12.Oc1c(Br)cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1Br.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1.
What is the InChIKey of 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The InChIKey is ZCKWHAFPBQKCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.C21H16Br2N2O.C21H17BrN2.C20H16N2O.C19H14N2O.C18H14N2O/c1-13-2-7-16-18(12-13)22(14-3-5-15(25)6-4-14)24-20-9-8-19-17(21(16)20)10-11-23-19;22-15-9-11(10-16(23)21(15)26)20-13-4-2-1-3-12(13)19-14-7-8-24-17(14)5-6-18(19)25-20;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;23-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-21-17(16)8-9-18(19)22-20;22-12-3-1-11(2-4-12)19-14-6-5-13(14)18-15-9-10-20-16(15)7-8-17(18)21-19;1-11-10-17(12-2-4-13(21)5-3-12)20-16-7-6-15-14(18(11)16)8-9-19-15/h3-6,8-11,13,24-25H,2,7,12H2,1H3;5-10,25-26H,1-4H2;5-12,24H,1-4H2;4-11,22-23H,1-3H2;1-4,7-10,21-22H,5-6H2;2-10,20-21H,1H3.
What are the key properties of 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol has a molecular weight of 2038.90 g/mol, XLogP of 30.89, 6 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 163630203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).