11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine

C177H131N9 — CID 161187599

IUPAC11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C61H45N3.C59H43N3.C57H43N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47;1-59(2)51-35-33-46(37-50(51)56-48-29-17-15-19-40(48)31-34-52(56)59)61(44-25-11-5-12-26-44)54-38-47(60(42-21-7-3-8-22-42)43-23-9-4-10-24-43)39-55-58(54)57-49-30-18-16-20-41(49)32-36-53(57)62(55)45-27-13-6-14-28-45;1-57(2)51-31-19-18-30-48(51)49-35-33-46(37-52(49)57)58(42-22-10-4-11-23-42)47-38-54(59(43-24-12-5-13-25-43)44-26-14-6-15-27-44)56-50-34-32-41(40-20-8-3-9-21-40)36-53(50)60(55(56)39-47)45-28-16-7-17-29-45/h3-41H,1-2H3;3-39H,1-2H3;3-39H,1-2H3
InChIKeyUTHDFJRAFDIRJB-UHFFFAOYSA-N
MW2384.06 g/mol
LogP48.88
Rot. Bonds23

About 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine

11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine (PubChem CID 161187599) has the molecular formula C177H131N9 and a molecular weight of 2384.06 g/mol. Its IUPAC name is 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
PubChem CID161187599
Molecular FormulaC177H131N9
Molecular Weight2384.06 g/mol
Exact Mass2382.05
IUPAC Name11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C61H45N3.C59H43N3.C57H43N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47;1-59(2)51-35-33-46(37-50(51)56-48-29-17-15-19-40(48)31-34-52(56)59)61(44-25-11-5-12-26-44)54-38-47(60(42-21-7-3-8-22-42)43-23-9-4-10-24-43)39-55-58(54)57-49-30-18-16-20-41(49)32-36-53(57)62(55)45-27-13-6-14-28-45;1-57(2)51-31-19-18-30-48(51)49-35-33-46(37-52(49)57)58(42-22-10-4-11-23-42)47-38-54(59(43-24-12-5-13-25-43)44-26-14-6-15-27-44)56-50-34-32-41(40-20-8-3-9-21-40)36-53(50)60(55(56)39-47)45-28-16-7-17-29-45/h3-41H,1-2H3;3-39H,1-2H3;3-39H,1-2H3
InChIKeyUTHDFJRAFDIRJB-UHFFFAOYSA-N
XLogP48.88
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms186
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002384.06
LogP ≤ 548.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine?
The IUPAC name of 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine (CID 161187599) is 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine.
What is the SMILES notation for 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine?
The canonical SMILES for 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine is CC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine?
The InChIKey is UTHDFJRAFDIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3.C59H43N3.C57H43N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47;1-59(2)51-35-33-46(37-50(51)56-48-29-17-15-19-40(48)31-34-52(56)59)61(44-25-11-5-12-26-44)54-38-47(60(42-21-7-3-8-22-42)43-23-9-4-10-24-43)39-55-58(54)57-49-30-18-16-20-41(49)32-36-53(57)62(55)45-27-13-6-14-28-45;1-57(2)51-31-19-18-30-48(51)49-35-33-46(37-52(49)57)58(42-22-10-4-11-23-42)47-38-54(59(43-24-12-5-13-25-43)44-26-14-6-15-27-44)56-50-34-32-41(40-20-8-3-9-21-40)36-53(50)60(55(56)39-47)45-28-16-7-17-29-45/h3-41H,1-2H3;3-39H,1-2H3;3-39H,1-2H3.
What are the key properties of 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine?
11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine has a molecular weight of 2384.06 g/mol, XLogP of 48.88, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine is sourced from PubChem (CID 161187599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).