2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole

C193H128N10O2 — CID 157079471

IUPAC2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cccc5c43)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5cnc6ccccc6c5)nc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4cnc5c(ccc6cccnc65)c4)cccc23)cc1
InChIInChI=1S/C52H38N2O.C48H31N3.C47H30N2O.C46H29N3/c1-52(2)44-21-10-9-18-40(44)41-29-28-37(32-45(41)52)54-49(35-16-7-4-8-17-35)48(34-14-5-3-6-15-34)43-31-30-39-38(19-13-20-42(39)50(43)54)33-24-26-36(27-25-33)51-53-46-22-11-12-23-47(46)55-51;1-3-13-33(14-4-1)46-43-26-25-41-40(37-23-27-45(49-30-37)38-28-36-18-9-10-21-44(36)50-31-38)19-11-20-42(41)48(43)51(47(46)34-15-5-2-6-16-34)39-24-22-32-12-7-8-17-35(32)29-39;1-3-13-33(14-4-1)44-41-29-28-39-38(32-22-24-35(25-23-32)47-48-42-20-9-10-21-43(42)50-47)18-11-19-40(39)46(41)49(45(44)34-15-5-2-6-16-34)37-27-26-31-12-7-8-17-36(31)30-37;1-3-12-31(13-4-1)42-41-25-24-39-38(36-27-35-21-20-32-17-10-26-47-43(32)44(35)48-29-36)18-9-19-40(39)46(41)49(45(42)33-14-5-2-6-15-33)37-23-22-30-11-7-8-16-34(30)28-37/h3-9,11-20,22-32H,10,21H2,1-2H3;1-31H;1-30H;1-29H
InChIKeyADJAHNPLCUSOGZ-UHFFFAOYSA-N
MW2619.21 g/mol
LogP51.32
Rot. Bonds19

About 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole

2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole (PubChem CID 157079471) has the molecular formula C193H128N10O2 and a molecular weight of 2619.21 g/mol. Its IUPAC name is 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole.

Molecular Properties

Compound Name2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole
PubChem CID157079471
Molecular FormulaC193H128N10O2
Molecular Weight2619.21 g/mol
Exact Mass2617.02
IUPAC Name2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cccc5c43)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5cnc6ccccc6c5)nc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4cnc5c(ccc6cccnc65)c4)cccc23)cc1
InChIInChI=1S/C52H38N2O.C48H31N3.C47H30N2O.C46H29N3/c1-52(2)44-21-10-9-18-40(44)41-29-28-37(32-45(41)52)54-49(35-16-7-4-8-17-35)48(34-14-5-3-6-15-34)43-31-30-39-38(19-13-20-42(39)50(43)54)33-24-26-36(27-25-33)51-53-46-22-11-12-23-47(46)55-51;1-3-13-33(14-4-1)46-43-26-25-41-40(37-23-27-45(49-30-37)38-28-36-18-9-10-21-44(36)50-31-38)19-11-20-42(41)48(43)51(47(46)34-15-5-2-6-16-34)39-24-22-32-12-7-8-17-35(32)29-39;1-3-13-33(14-4-1)44-41-29-28-39-38(32-22-24-35(25-23-32)47-48-42-20-9-10-21-43(42)50-47)18-11-19-40(39)46(41)49(45(44)34-15-5-2-6-16-34)37-27-26-31-12-7-8-17-36(31)30-37;1-3-12-31(13-4-1)42-41-25-24-39-38(36-27-35-21-20-32-17-10-26-47-43(32)44(35)48-29-36)18-9-19-40(39)46(41)49(45(42)33-14-5-2-6-15-33)37-23-22-30-11-7-8-16-34(30)28-37/h3-9,11-20,22-32H,10,21H2,1-2H3;1-31H;1-30H;1-29H
InChIKeyADJAHNPLCUSOGZ-UHFFFAOYSA-N
XLogP51.32
TPSA123.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.21
LogP ≤ 551.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole?
The IUPAC name of 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole (CID 157079471) is 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole.
What is the SMILES notation for 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole?
The canonical SMILES for 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole is CC1(C)C2=C(C=CCC2)c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cccc5c43)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5cnc6ccccc6c5)nc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2ccc2c(-c4cnc5c(ccc6cccnc65)c4)cccc23)cc1.
What is the InChIKey of 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole?
The InChIKey is ADJAHNPLCUSOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O.C48H31N3.C47H30N2O.C46H29N3/c1-52(2)44-21-10-9-18-40(44)41-29-28-37(32-45(41)52)54-49(35-16-7-4-8-17-35)48(34-14-5-3-6-15-34)43-31-30-39-38(19-13-20-42(39)50(43)54)33-24-26-36(27-25-33)51-53-46-22-11-12-23-47(46)55-51;1-3-13-33(14-4-1)46-43-26-25-41-40(37-23-27-45(49-30-37)38-28-36-18-9-10-21-44(36)50-31-38)19-11-20-42(41)48(43)51(47(46)34-15-5-2-6-16-34)39-24-22-32-12-7-8-17-35(32)29-39;1-3-13-33(14-4-1)44-41-29-28-39-38(32-22-24-35(25-23-32)47-48-42-20-9-10-21-43(42)50-47)18-11-19-40(39)46(41)49(45(44)34-15-5-2-6-16-34)37-27-26-31-12-7-8-17-36(31)30-37;1-3-12-31(13-4-1)42-41-25-24-39-38(36-27-35-21-20-32-17-10-26-47-43(32)44(35)48-29-36)18-9-19-40(39)46(41)49(45(42)33-14-5-2-6-15-33)37-23-22-30-11-7-8-16-34(30)28-37/h3-9,11-20,22-32H,10,21H2,1-2H3;1-31H;1-30H;1-29H.
What are the key properties of 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole?
2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole has a molecular weight of 2619.21 g/mol, XLogP of 51.32, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;3-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-1,10-phenanthroline;2-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;1-naphthalen-2-yl-2,3-diphenyl-6-(6-quinolin-3-yl-3-pyridinyl)benzo[g]indole is sourced from PubChem (CID 157079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).