9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

Name: 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄₉H₃₄O — CID 170023888

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

SMILESCC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21

InChIInChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3

InChIKeyMGPFROMVHZKXHS-UHFFFAOYSA-N

MW638.81 g/mol

LogP12.33

Rot. Bonds4

About 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (PubChem CID 170023888) has the molecular formula C₄₉H₃₄O and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.

Molecular Properties

Compound Name	9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
PubChem CID	170023888
Molecular Formula	C₄₉H₃₄O
Molecular Weight	638.81 g/mol
Exact Mass	638.26
IUPAC Name	9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
SMILES	CC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21
InChI	InChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3
InChIKey	MGPFROMVHZKXHS-UHFFFAOYSA-N
XLogP	12.33
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.81
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?

The IUPAC name of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (CID 170023888) is 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.

What is the SMILES notation for 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?

The canonical SMILES for 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is CC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21.

What is the InChIKey of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?

The InChIKey is MGPFROMVHZKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3.

What are the key properties of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?

9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene has a molecular weight of 638.81 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is sourced from PubChem (CID 170023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 170023888 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.