7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine

C44H33NO — CID 157157660

IUPAC7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine
SMILESCc1cccc(-c2c3c(cc4oc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c24)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C44H33NO/c1-28-12-11-15-31(24-28)41-42-35-18-9-10-19-37(35)44(2,3)38(42)27-40-43(41)36-23-22-34(26-39(36)46-40)45(32-16-5-4-6-17-32)33-21-20-29-13-7-8-14-30(29)25-33/h4-27H,1-3H3
InChIKeyPSJWIBSBVDVCSS-UHFFFAOYSA-N
MW591.75 g/mol
LogP12.49
Rot. Bonds4

About 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine

7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine (PubChem CID 157157660) has the molecular formula C44H33NO and a molecular weight of 591.75 g/mol. Its IUPAC name is 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine
PubChem CID157157660
Molecular FormulaC44H33NO
Molecular Weight591.75 g/mol
Exact Mass591.26
IUPAC Name7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine
SMILESCc1cccc(-c2c3c(cc4oc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c24)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C44H33NO/c1-28-12-11-15-31(24-28)41-42-35-18-9-10-19-37(35)44(2,3)38(42)27-40-43(41)36-23-22-34(26-39(36)46-40)45(32-16-5-4-6-17-32)33-21-20-29-13-7-8-14-30(29)25-33/h4-27H,1-3H3
InChIKeyPSJWIBSBVDVCSS-UHFFFAOYSA-N
XLogP12.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 171402240
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176817623
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359655
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
CID 170412879
N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128398
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine?
The IUPAC name of 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine (CID 157157660) is 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine is Cc1cccc(-c2c3c(cc4oc5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc5c24)C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine?
The InChIKey is PSJWIBSBVDVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NO/c1-28-12-11-15-31(24-28)41-42-35-18-9-10-19-37(35)44(2,3)38(42)27-40-43(41)36-23-22-34(26-39(36)46-40)45(32-16-5-4-6-17-32)33-21-20-29-13-7-8-14-30(29)25-33/h4-27H,1-3H3.
What are the key properties of 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine?
7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine has a molecular weight of 591.75 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-(3-methylphenyl)-N-naphthalen-2-yl-N-phenylfluoreno[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 157157660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).