9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene

C45H29Cl — CID 139546670

IUPAC9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H29Cl/c46-34-24-25-38(41-27-30-13-7-8-18-35(30)36-19-9-10-20-37(36)41)40(29-34)31-23-26-44-42(28-31)39-21-11-12-22-43(39)45(44,32-14-3-1-4-15-32)33-16-5-2-6-17-33/h1-29H
InChIKeyKLDZNKQFJWBBJX-UHFFFAOYSA-N
MW605.18 g/mol
LogP12.34
Rot. Bonds4

About 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene

9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene (PubChem CID 139546670) has the molecular formula C45H29Cl and a molecular weight of 605.18 g/mol. Its IUPAC name is 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
PubChem CID139546670
Molecular FormulaC45H29Cl
Molecular Weight605.18 g/mol
Exact Mass604.20
IUPAC Name9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
SMILESClc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C45H29Cl/c46-34-24-25-38(41-27-30-13-7-8-18-35(30)36-19-9-10-20-37(36)41)40(29-34)31-23-26-44-42(28-31)39-21-11-12-22-43(39)45(44,32-14-3-1-4-15-32)33-16-5-2-6-17-33/h1-29H
InChIKeyKLDZNKQFJWBBJX-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.18
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-phenanthren-9-ylphenyl)-9,9'-spirobi[fluorene]
CID 139546668
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
CID 153407493
1,3,4-trideuterio-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 153471352
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032
2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038

Frequently Asked Questions

What is the IUPAC name of 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene?
The IUPAC name of 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene (CID 139546670) is 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene.
What is the SMILES notation for 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene?
The canonical SMILES for 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene is Clc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c(c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene?
The InChIKey is KLDZNKQFJWBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29Cl/c46-34-24-25-38(41-27-30-13-7-8-18-35(30)36-19-9-10-20-37(36)41)40(29-34)31-23-26-44-42(28-31)39-21-11-12-22-43(39)45(44,32-14-3-1-4-15-32)33-16-5-2-6-17-33/h1-29H.
What are the key properties of 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene?
9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene has a molecular weight of 605.18 g/mol, XLogP of 12.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene is sourced from PubChem (CID 139546670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).