2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane

C246H176N4P4 — CID 159087588

IUPAC2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(P(c2ccccc2)c2ccc3c(c2)Cc2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(C)ccc5-6)ccc3-4)ccc1-2.Cc1ccc2c(c1)Cc1cc(N(c3ccc4c(c3)Cc3ccccc3-4)c3ccc4c(c3)Cc3cc(N(c5ccc6c(c5)Cc5ccccc5-6)c5ccc6c(c5)Cc5cc(C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C89H58N2.C67H48N2.C51H38P2.C39H32P2/c1-55-37-43-69-71-45-39-59(51-83(71)87(81(69)49-55)75-31-15-9-25-63(75)64-26-10-16-32-76(64)87)90(57-21-5-3-6-22-57)61-41-47-73-74-48-42-62(54-86(74)89(85(73)53-61)79-35-19-13-29-67(79)68-30-14-20-36-80(68)89)91(58-23-7-4-8-24-58)60-40-46-72-70-44-38-56(2)50-82(70)88(84(72)52-60)77-33-17-11-27-65(77)66-28-12-18-34-78(66)88;1-40-11-19-60-44(27-40)31-48-36-54(15-23-64(48)60)68(52-13-21-62-46(34-52)29-42-7-3-5-9-58(42)62)56-17-25-66-50(38-56)33-51-39-57(18-26-67(51)66)69(53-14-22-63-47(35-53)30-43-8-4-6-10-59(43)63)55-16-24-65-49(37-55)32-45-28-41(2)12-20-61(45)65;1-35-21-25-39(26-22-35)52(37-13-5-3-6-14-37)41-29-31-45-46-32-30-42(53(38-15-7-4-8-16-38)40-27-23-36(2)24-28-40)34-50(46)51(49(45)33-41)47-19-11-9-17-43(47)44-18-10-12-20-48(44)51;1-28-13-17-34(18-14-28)40(32-9-5-3-6-10-32)36-21-23-38-30(26-36)25-31-27-37(22-24-39(31)38)41(33-11-7-4-8-12-33)35-19-15-29(2)16-20-35/h3-54H,1-2H3;3-28,34-39H,29-33H2,1-2H3;3-34H,1-2H3;3-24,26-27H,25H2,1-2H3
InChIKeyKBQDPUPNQBTMBO-UHFFFAOYSA-N
MW3312.04 g/mol
LogP56.93
Rot. Bonds24

About 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane

2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane (PubChem CID 159087588) has the molecular formula C246H176N4P4 and a molecular weight of 3312.04 g/mol. Its IUPAC name is 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane.

Molecular Properties

Compound Name2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane
PubChem CID159087588
Molecular FormulaC246H176N4P4
Molecular Weight3312.04 g/mol
Exact Mass3309.28
IUPAC Name2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane
SMILESCc1ccc(P(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(P(c2ccccc2)c2ccc3c(c2)Cc2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(C)ccc5-6)ccc3-4)ccc1-2.Cc1ccc2c(c1)Cc1cc(N(c3ccc4c(c3)Cc3ccccc3-4)c3ccc4c(c3)Cc3cc(N(c5ccc6c(c5)Cc5ccccc5-6)c5ccc6c(c5)Cc5cc(C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C89H58N2.C67H48N2.C51H38P2.C39H32P2/c1-55-37-43-69-71-45-39-59(51-83(71)87(81(69)49-55)75-31-15-9-25-63(75)64-26-10-16-32-76(64)87)90(57-21-5-3-6-22-57)61-41-47-73-74-48-42-62(54-86(74)89(85(73)53-61)79-35-19-13-29-67(79)68-30-14-20-36-80(68)89)91(58-23-7-4-8-24-58)60-40-46-72-70-44-38-56(2)50-82(70)88(84(72)52-60)77-33-17-11-27-65(77)66-28-12-18-34-78(66)88;1-40-11-19-60-44(27-40)31-48-36-54(15-23-64(48)60)68(52-13-21-62-46(34-52)29-42-7-3-5-9-58(42)62)56-17-25-66-50(38-56)33-51-39-57(18-26-67(51)66)69(53-14-22-63-47(35-53)30-43-8-4-6-10-59(43)63)55-16-24-65-49(37-55)32-45-28-41(2)12-20-61(45)65;1-35-21-25-39(26-22-35)52(37-13-5-3-6-14-37)41-29-31-45-46-32-30-42(53(38-15-7-4-8-16-38)40-27-23-36(2)24-28-40)34-50(46)51(49(45)33-41)47-19-11-9-17-43(47)44-18-10-12-20-48(44)51;1-28-13-17-34(18-14-28)40(32-9-5-3-6-10-32)36-21-23-38-30(26-36)25-31-27-37(22-24-39(31)38)41(33-11-7-4-8-12-33)35-19-15-29(2)16-20-35/h3-54H,1-2H3;3-28,34-39H,29-33H2,1-2H3;3-34H,1-2H3;3-24,26-27H,25H2,1-2H3
InChIKeyKBQDPUPNQBTMBO-UHFFFAOYSA-N
XLogP56.93
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms254
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003312.04
LogP ≤ 556.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane?
The IUPAC name of 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane (CID 159087588) is 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane.
What is the SMILES notation for 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane?
The canonical SMILES for 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane is Cc1ccc(P(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(P(c2ccccc2)c2ccc3c(c2)Cc2cc(P(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(C)ccc5-6)ccc3-4)ccc1-2.Cc1ccc2c(c1)Cc1cc(N(c3ccc4c(c3)Cc3ccccc3-4)c3ccc4c(c3)Cc3cc(N(c5ccc6c(c5)Cc5ccccc5-6)c5ccc6c(c5)Cc5cc(C)ccc5-6)ccc3-4)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane?
The InChIKey is KBQDPUPNQBTMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H58N2.C67H48N2.C51H38P2.C39H32P2/c1-55-37-43-69-71-45-39-59(51-83(71)87(81(69)49-55)75-31-15-9-25-63(75)64-26-10-16-32-76(64)87)90(57-21-5-3-6-22-57)61-41-47-73-74-48-42-62(54-86(74)89(85(73)53-61)79-35-19-13-29-67(79)68-30-14-20-36-80(68)89)91(58-23-7-4-8-24-58)60-40-46-72-70-44-38-56(2)50-82(70)88(84(72)52-60)77-33-17-11-27-65(77)66-28-12-18-34-78(66)88;1-40-11-19-60-44(27-40)31-48-36-54(15-23-64(48)60)68(52-13-21-62-46(34-52)29-42-7-3-5-9-58(42)62)56-17-25-66-50(38-56)33-51-39-57(18-26-67(51)66)69(53-14-22-63-47(35-53)30-43-8-4-6-10-59(43)63)55-16-24-65-49(37-55)32-45-28-41(2)12-20-61(45)65;1-35-21-25-39(26-22-35)52(37-13-5-3-6-14-37)41-29-31-45-46-32-30-42(53(38-15-7-4-8-16-38)40-27-23-36(2)24-28-40)34-50(46)51(49(45)33-41)47-19-11-9-17-43(47)44-18-10-12-20-48(44)51;1-28-13-17-34(18-14-28)40(32-9-5-3-6-10-32)36-21-23-38-30(26-36)25-31-27-37(22-24-39(31)38)41(33-11-7-4-8-12-33)35-19-15-29(2)16-20-35/h3-54H,1-2H3;3-28,34-39H,29-33H2,1-2H3;3-34H,1-2H3;3-24,26-27H,25H2,1-2H3.
What are the key properties of 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane?
2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane has a molecular weight of 3312.04 g/mol, XLogP of 56.93, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane is sourced from PubChem (CID 159087588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).