2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine

C45H34N4 — CID 59782409

IUPAC2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine
SMILESCc1cc2c(cc1-c1ccc3ccc(-c4ccccc4)nc3n1)C(C)(C)c1cc(-c3ccc4ccc(-c5ccccc5)nc4n3)c(C)cc1-2
InChIInChI=1S/C45H34N4/c1-27-23-35-36-24-28(2)34(42-22-18-32-16-20-40(47-44(32)49-42)30-13-9-6-10-14-30)26-38(36)45(3,4)37(35)25-33(27)41-21-17-31-15-19-39(46-43(31)48-41)29-11-7-5-8-12-29/h5-26H,1-4H3
InChIKeyMVKWKDNXFJJTGM-UHFFFAOYSA-N
MW630.80 g/mol
LogP11.16
Rot. Bonds4

About 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine

2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine (PubChem CID 59782409) has the molecular formula C45H34N4 and a molecular weight of 630.80 g/mol. Its IUPAC name is 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine
PubChem CID59782409
Molecular FormulaC45H34N4
Molecular Weight630.80 g/mol
Exact Mass630.28
IUPAC Name2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine
SMILESCc1cc2c(cc1-c1ccc3ccc(-c4ccccc4)nc3n1)C(C)(C)c1cc(-c3ccc4ccc(-c5ccccc5)nc4n3)c(C)cc1-2
InChIInChI=1S/C45H34N4/c1-27-23-35-36-24-28(2)34(42-22-18-32-16-20-40(47-44(32)49-42)30-13-9-6-10-14-30)26-38(36)45(3,4)37(35)25-33(27)41-21-17-31-15-19-39(46-43(31)48-41)29-11-7-5-8-12-29/h5-26H,1-4H3
InChIKeyMVKWKDNXFJJTGM-UHFFFAOYSA-N
XLogP11.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine?
The IUPAC name of 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine (CID 59782409) is 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine?
The canonical SMILES for 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine is Cc1cc2c(cc1-c1ccc3ccc(-c4ccccc4)nc3n1)C(C)(C)c1cc(-c3ccc4ccc(-c5ccccc5)nc4n3)c(C)cc1-2.
What is the InChIKey of 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine?
The InChIKey is MVKWKDNXFJJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4/c1-27-23-35-36-24-28(2)34(42-22-18-32-16-20-40(47-44(32)49-42)30-13-9-6-10-14-30)26-38(36)45(3,4)37(35)25-33(27)41-21-17-31-15-19-39(46-43(31)48-41)29-11-7-5-8-12-29/h5-26H,1-4H3.
What are the key properties of 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine?
2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine has a molecular weight of 630.80 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3,6,9,9-tetramethyl-7-(7-phenyl-1,8-naphthyridin-2-yl)fluoren-2-yl]-1,8-naphthyridine is sourced from PubChem (CID 59782409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).