4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile

C208H136N18 — CID 160719287

About 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile

4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile (PubChem CID 160719287) has the molecular formula C208H136N18 and a molecular weight of 2887.50 g/mol. Its IUPAC name is 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile.

Molecular Properties

• Compound Name: 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile
• PubChem CID: 160719287
• Molecular Formula: C208H136N18
• Molecular Weight: 2887.50 g/mol
• Exact Mass: 2885.12
• IUPAC Name: 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile
• SMILES: [C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C(C)(C)C)C2(C(C)(C)C)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C)C2(C)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)C2(c3ccccc3)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1
• InChI: InChI=1S/C74H44N6.C70H52N6.C64H40N6/c1-77-53-33-41-57(42-34-53)79(55-37-29-49(47-75)30-38-55)69-45-67-71(61-23-11-9-21-59(61)69)63-25-13-15-27-65(63)73(67,51-17-5-3-6-18-51)74(52-19-7-4-8-20-52)66-28-16-14-26-64(66)72-62-24-12-10-22-60(62)70(46-68(72)74)80(56-39-31-50(48-76)32-40-56)58-43-35-54(78-2)36-44-58;1-67(2,3)69(59-23-15-13-21-57(59)65-55-19-11-9-17-53(55)63(41-61(65)69)75(49-33-25-45(43-71)26-34-49)51-37-29-47(73-7)30-38-51)70(68(4,5)6)60-24-16-14-22-58(60)66-56-20-12-10-18-54(56)64(42-62(66)70)76(50-35-27-46(44-72)28-36-50)52-39-31-48(74-8)32-40-52;1-63(55-19-11-9-17-53(55)61-51-15-7-5-13-49(51)59(37-57(61)63)69(45-29-21-41(39-65)22-30-45)47-33-25-43(67-3)26-34-47)64(2)56-20-12-10-18-54(56)62-52-16-8-6-14-50(52)60(38-58(62)64)70(46-31-23-42(40-66)24-32-46)48-35-27-44(68-4)28-36-48/h3-46H;9-42H,1-6H3;5-38H,1-2H3
• InChIKey: RSWRDVJOKZZPKK-UHFFFAOYSA-N
• XLogP: 55.26
• TPSA: 188.34 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2887.50
LogP ≤ 5	55.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile?

The IUPAC name of 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile (CID 160719287) is 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile.

What is the SMILES notation for 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile?

The canonical SMILES for 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile is [C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C(C)(C)C)C2(C(C)(C)C)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(C)C2(C)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)C2(c3ccccc3)c3ccccc3-c3c2cc(N(c2ccc(C#N)cc2)c2ccc([N+]#[C-])cc2)c2ccccc32)cc1.

What is the InChIKey of 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile?

The InChIKey is RSWRDVJOKZZPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6.C70H52N6.C64H40N6/c1-77-53-33-41-57(42-34-53)79(55-37-29-49(47-75)30-38-55)69-45-67-71(61-23-11-9-21-59(61)69)63-25-13-15-27-65(63)73(67,51-17-5-3-6-18-51)74(52-19-7-4-8-20-52)66-28-16-14-26-64(66)72-62-24-12-10-22-60(62)70(46-68(72)74)80(56-39-31-50(48-76)32-40-56)58-43-35-54(78-2)36-44-58;1-67(2,3)69(59-23-15-13-21-57(59)65-55-19-11-9-17-53(55)63(41-61(65)69)75(49-33-25-45(43-71)26-34-49)51-37-29-47(73-7)30-38-51)70(68(4,5)6)60-24-16-14-22-58(60)66-56-20-12-10-18-54(56)64(42-62(66)70)76(50-35-27-46(44-72)28-36-50)52-39-31-48(74-8)32-40-52;1-63(55-19-11-9-17-53(55)61-51-15-7-5-13-49(51)59(37-57(61)63)69(45-29-21-41(39-65)22-30-45)47-33-25-43(67-3)26-34-47)64(2)56-20-12-10-18-54(56)62-52-16-8-6-14-50(52)60(38-58(62)64)70(46-31-23-42(40-66)24-32-46)48-35-27-44(68-4)28-36-48/h3-46H;9-42H,1-6H3;5-38H,1-2H3.

What are the key properties of 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile?

4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile has a molecular weight of 2887.50 g/mol, XLogP of 55.26, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[7-tert-butyl-7-[7-tert-butyl-5-(4-cyano-N-(4-isocyanophenyl)anilino)benzo[c]fluoren-7-yl]benzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile;4-(N-[7-[5-(4-cyano-N-(4-isocyanophenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-7-phenylbenzo[c]fluoren-5-yl]-4-isocyanoanilino)benzonitrile is sourced from PubChem (CID 160719287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).