1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline

C148H100N6 — CID 159772726

IUPAC1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline
SMILESCc1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C80H56N2.C44H28N2.C24H16N2/c1-53-21-17-29-61(49-53)81(63-31-19-27-59(51-63)79(57-23-5-3-6-24-57)71-37-13-9-33-65(71)66-34-10-14-38-72(66)79)75-47-43-55-42-46-70-76(48-44-56-41-45-69(75)77(55)78(56)70)82(62-30-18-22-54(2)50-62)64-32-20-28-60(52-64)80(58-25-7-4-8-26-58)73-39-15-11-35-67(73)68-36-12-16-40-74(68)80;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h3-52H,1-2H3;1-28H;1-16H
InChIKeyNGIFDOMBJWCGKL-UHFFFAOYSA-N
MW1962.47 g/mol
LogP38.74
Rot. Bonds16

About 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline

1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline (PubChem CID 159772726) has the molecular formula C148H100N6 and a molecular weight of 1962.47 g/mol. Its IUPAC name is 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline
PubChem CID159772726
Molecular FormulaC148H100N6
Molecular Weight1962.47 g/mol
Exact Mass1960.80
IUPAC Name1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline
SMILESCc1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C80H56N2.C44H28N2.C24H16N2/c1-53-21-17-29-61(49-53)81(63-31-19-27-59(51-63)79(57-23-5-3-6-24-57)71-37-13-9-33-65(71)66-34-10-14-38-72(66)79)75-47-43-55-42-46-70-76(48-44-56-41-45-69(75)77(55)78(56)70)82(62-30-18-22-54(2)50-62)64-32-20-28-60(52-64)80(58-25-7-4-8-26-58)73-39-15-11-35-67(73)68-36-12-16-40-74(68)80;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h3-52H,1-2H3;1-28H;1-16H
InChIKeyNGIFDOMBJWCGKL-UHFFFAOYSA-N
XLogP38.74
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001962.47
LogP ≤ 538.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
CID 58233584
1-N,1-N-bis(3,5-dimethylphenyl)-6-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 126743874
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 160609074
1-N,6-N-bis(3-methylphenyl)-6-N-[3-[[2-(2-methylphenyl)phenyl]-phenylmethyl]phenyl]-1-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 88958678
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159029178
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
CID 58233592
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
N-(4-naphthalen-1-ylphenyl)-N-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]naphthalen-1-amine
CID 129230919
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyreno[1,2-b]pyridin-1-amine
CID 89296864
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline (CID 159772726) is 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline is Cc1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline?
The InChIKey is NGIFDOMBJWCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N2.C44H28N2.C24H16N2/c1-53-21-17-29-61(49-53)81(63-31-19-27-59(51-63)79(57-23-5-3-6-24-57)71-37-13-9-33-65(71)66-34-10-14-38-72(66)79)75-47-43-55-42-46-70-76(48-44-56-41-45-69(75)77(55)78(56)70)82(62-30-18-22-54(2)50-62)64-32-20-28-60(52-64)80(58-25-7-4-8-26-58)73-39-15-11-35-67(73)68-36-12-16-40-74(68)80;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h3-52H,1-2H3;1-28H;1-16H.
What are the key properties of 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline?
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline has a molecular weight of 1962.47 g/mol, XLogP of 38.74, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 159772726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).