bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane

C98H97Br2N5O6P32S2 — CID 159542062

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane
SMILESC.O=S1(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2Oc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc21.O=S1(=O)c2ccc(Br)cc2Oc2cc(Br)ccc21.PP(P)P(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1ccc2c(c1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2
InChIInChI=1S/C60H36N4O3S.C25H17N.C12H6Br2O3S.CH4.H34P32/c65-68(66)59-31-27-39(63-53-23-11-5-17-45(53)47-33-37(25-29-55(47)63)61-49-19-7-1-13-41(49)42-14-2-8-20-50(42)61)35-57(59)67-58-36-40(28-32-60(58)68)64-54-24-12-6-18-46(54)48-34-38(26-30-56(48)64)62-51-21-9-3-15-43(51)44-16-4-10-22-52(44)62;1-2-8-20-17(7-1)15-18-13-14-19(16-23(18)20)26-24-11-5-3-9-21(24)22-10-4-6-12-25(22)26;13-7-1-3-11-9(5-7)17-10-6-8(14)2-4-12(10)18(11,15)16;;1-18(2)26(17)30(25(15)16)32(29(23(11)12)24(13)14)31(27(19(3)4)20(5)6)28(21(7)8)22(9)10/h1-36H;1-14,16H,15H2;1-6H;1H4;1-17H2
InChIKeyMEIMRPKJTBTNFX-UHFFFAOYSA-N
MW2655.99 g/mol
LogP44.61
Rot. Bonds19

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane (PubChem CID 159542062) has the molecular formula C98H97Br2N5O6P32S2 and a molecular weight of 2655.99 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane
PubChem CID159542062
Molecular FormulaC98H97Br2N5O6P32S2
Molecular Weight2655.99 g/mol
Exact Mass2652.69
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane
SMILESC.O=S1(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2Oc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc21.O=S1(=O)c2ccc(Br)cc2Oc2cc(Br)ccc21.PP(P)P(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1ccc2c(c1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2
InChIInChI=1S/C60H36N4O3S.C25H17N.C12H6Br2O3S.CH4.H34P32/c65-68(66)59-31-27-39(63-53-23-11-5-17-45(53)47-33-37(25-29-55(47)63)61-49-19-7-1-13-41(49)42-14-2-8-20-50(42)61)35-57(59)67-58-36-40(28-32-60(58)68)64-54-24-12-6-18-46(54)48-34-38(26-30-56(48)64)62-51-21-9-3-15-43(51)44-16-4-10-22-52(44)62;1-2-8-20-17(7-1)15-18-13-14-19(16-23(18)20)26-24-11-5-3-9-21(24)22-10-4-6-12-25(22)26;13-7-1-3-11-9(5-7)17-10-6-8(14)2-4-12(10)18(11,15)16;;1-18(2)26(17)30(25(15)16)32(29(23(11)12)24(13)14)31(27(19(3)4)20(5)6)28(21(7)8)22(9)10/h1-36H;1-14,16H,15H2;1-6H;1H4;1-17H2
InChIKeyMEIMRPKJTBTNFX-UHFFFAOYSA-N
XLogP44.61
TPSA111.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.99
LogP ≤ 544.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane with MolForge

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Related Compounds

9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole;11-chloro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;9-(9H-fluoren-3-yl)carbazole
CID 157215051
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
CID 160891883
3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)-7-carbazol-9-ylphenoxathiine 10,10-dioxide
CID 134335115
CID 157405970
CID 157405970
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
CID 160921097
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-(2-bromo-3-carbazol-9-ylphenyl)carbazole;2-bromo-1,3-difluorobenzene;1-bromo-3-fluorobenzene;9-(3-bromophenyl)-3-carbazol-9-ylcarbazole;bis([3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]boronic acid);9H-fluorene;9-(9H-fluoren-3-yl)carbazole
CID 159846719

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane (CID 159542062) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane is C.O=S1(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2Oc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc21.O=S1(=O)c2ccc(Br)cc2Oc2cc(Br)ccc21.PP(P)P(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.c1ccc2c(c1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane?
The InChIKey is MEIMRPKJTBTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O3S.C25H17N.C12H6Br2O3S.CH4.H34P32/c65-68(66)59-31-27-39(63-53-23-11-5-17-45(53)47-33-37(25-29-55(47)63)61-49-19-7-1-13-41(49)42-14-2-8-20-50(42)61)35-57(59)67-58-36-40(28-32-60(58)68)64-54-24-12-6-18-46(54)48-34-38(26-30-56(48)64)62-51-21-9-3-15-43(51)44-16-4-10-22-52(44)62;1-2-8-20-17(7-1)15-18-13-14-19(16-23(18)20)26-24-11-5-3-9-21(24)22-10-4-6-12-25(22)26;13-7-1-3-11-9(5-7)17-10-6-8(14)2-4-12(10)18(11,15)16;;1-18(2)26(17)30(25(15)16)32(29(23(11)12)24(13)14)31(27(19(3)4)20(5)6)28(21(7)8)22(9)10/h1-36H;1-14,16H,15H2;1-6H;1H4;1-17H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane has a molecular weight of 2655.99 g/mol, XLogP of 44.61, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;3,7-bis(3-carbazol-9-ylcarbazol-9-yl)phenoxathiine 10,10-dioxide;3,7-dibromophenoxathiine 10,10-dioxide;9-(9H-fluoren-3-yl)carbazole;methane is sourced from PubChem (CID 159542062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).