N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C185H127N3O4 — CID 159537336

About N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 159537336) has the molecular formula C185H127N3O4 and a molecular weight of 2456.07 g/mol. Its IUPAC name is N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 159537336
• Molecular Formula: C185H127N3O4
• Molecular Weight: 2456.07 g/mol
• Exact Mass: 2453.98
• IUPAC Name: N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: C.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4cccc5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C68H49NO.C62H39NO2.C54H35NO.CH4/c1-67(2)59-38-46(42-15-7-5-8-16-42)25-32-54(59)56-34-30-50(40-61(56)67)69(51-31-35-57-55-33-26-47(43-17-9-6-10-18-43)39-60(55)68(3,4)62(57)41-51)49-28-23-45(24-29-49)58-37-48-20-12-14-22-53(48)65-64-52-21-13-11-19-44(52)27-36-63(64)70-66(58)65;1-2-12-40(13-3-1)41-22-24-42(25-23-41)43-26-32-46(33-27-43)63(47-34-28-44(29-35-47)55-38-57-51-16-8-10-20-59(51)64-61(57)53-18-6-4-14-49(53)55)48-36-30-45(31-37-48)56-39-58-52-17-9-11-21-60(52)65-62(58)54-19-7-5-15-50(54)56;1-2-11-36(12-3-1)37-21-23-38(24-22-37)39-25-30-44(31-26-39)55(50-20-10-16-40-13-4-7-17-46(40)50)45-32-27-42(28-33-45)49-35-43-15-6-9-19-48(43)53-52-47-18-8-5-14-41(47)29-34-51(52)56-54(49)53;/h5-41H,1-4H3;1-39H;1-35H;1H4
• InChIKey: MDTIKKFRDDTNLI-UHFFFAOYSA-N
• XLogP: 53.06
• TPSA: 62.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2456.07
LogP ≤ 5	53.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The IUPAC name of N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 159537336) is N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The canonical SMILES for N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is C.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.

What is the InChIKey of N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The InChIKey is MDTIKKFRDDTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49NO.C62H39NO2.C54H35NO.CH4/c1-67(2)59-38-46(42-15-7-5-8-16-42)25-32-54(59)56-34-30-50(40-61(56)67)69(51-31-35-57-55-33-26-47(43-17-9-6-10-18-43)39-60(55)68(3,4)62(57)41-51)49-28-23-45(24-29-49)58-37-48-20-12-14-22-53(48)65-64-52-21-13-11-19-44(52)27-36-63(64)70-66(58)65;1-2-12-40(13-3-1)41-22-24-42(25-23-41)43-26-32-46(33-27-43)63(47-34-28-44(29-35-47)55-38-57-51-16-8-10-20-59(51)64-61(57)53-18-6-4-14-49(53)55)48-36-30-45(31-37-48)56-39-58-52-17-9-11-21-60(52)65-62(58)54-19-7-5-15-50(54)56;1-2-11-36(12-3-1)37-21-23-38(24-22-37)39-25-30-44(31-26-39)55(50-20-10-16-40-13-4-7-17-46(40)50)45-32-27-42(28-33-45)49-35-43-15-6-9-19-48(43)53-52-47-18-8-5-14-41(47)29-34-51(52)56-54(49)53;/h5-41H,1-4H3;1-39H;1-35H;1H4.

What are the key properties of N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 2456.07 g/mol, XLogP of 53.06, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-4-(4-phenylphenyl)aniline;N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-7-phenylfluoren-2-amine;methane;N-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 159537336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).