12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine

C131H95N3O3 — CID 163434632

IUPAC12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C45H33NO.2C43H31NO/c1-45(2)41-28-25-36(29-40(41)38-26-27-39-37-15-9-10-16-42(37)47-44(39)43(38)45)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31;1-43(2)39-25-22-34(27-38(39)36-23-24-37-35-14-8-9-15-40(35)45-42(37)41(36)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31;1-43(2)39-27-34(22-23-35(39)37-24-25-38-36-14-8-9-15-40(36)45-42(38)41(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31/h3-29H,1-2H3;2*3-27H,1-2H3
InChIKeyATKIANJDOIHGQG-UHFFFAOYSA-N
MW1759.22 g/mol
LogP37.06
Rot. Bonds13

About 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine

12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine (PubChem CID 163434632) has the molecular formula C131H95N3O3 and a molecular weight of 1759.22 g/mol. Its IUPAC name is 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
PubChem CID163434632
Molecular FormulaC131H95N3O3
Molecular Weight1759.22 g/mol
Exact Mass1757.74
IUPAC Name12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C45H33NO.2C43H31NO/c1-45(2)41-28-25-36(29-40(41)38-26-27-39-37-15-9-10-16-42(37)47-44(39)43(38)45)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31;1-43(2)39-25-22-34(27-38(39)36-23-24-37-35-14-8-9-15-40(35)45-42(37)41(36)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31;1-43(2)39-27-34(22-23-35(39)37-24-25-38-36-14-8-9-15-40(36)45-42(38)41(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31/h3-29H,1-2H3;2*3-27H,1-2H3
InChIKeyATKIANJDOIHGQG-UHFFFAOYSA-N
XLogP37.06
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001759.22
LogP ≤ 537.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine with MolForge

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Related Compounds

12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
CID 146647827
4-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-2-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-2-amine
CID 157416955
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine?
The IUPAC name of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine (CID 163434632) is 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2-c2ccc3c(oc4ccccc43)c21.CC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine?
The InChIKey is ATKIANJDOIHGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO.2C43H31NO/c1-45(2)41-28-25-36(29-40(41)38-26-27-39-37-15-9-10-16-42(37)47-44(39)43(38)45)46(34-21-17-32(18-22-34)30-11-5-3-6-12-30)35-23-19-33(20-24-35)31-13-7-4-8-14-31;1-43(2)39-25-22-34(27-38(39)36-23-24-37-35-14-8-9-15-40(35)45-42(37)41(36)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31;1-43(2)39-27-34(22-23-35(39)37-24-25-38-36-14-8-9-15-40(36)45-42(38)41(37)43)44(32-12-4-3-5-13-32)33-20-18-29(19-21-33)31-17-16-28-10-6-7-11-30(28)26-31/h3-29H,1-2H3;2*3-27H,1-2H3.
What are the key properties of 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine?
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine has a molecular weight of 1759.22 g/mol, XLogP of 37.06, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 163434632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).