2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene

C51H35I — CID 144938622

IUPAC2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccc(-c2cc3c(cc2I)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C51H35I/c1-34-28-29-47-43(30-34)40-24-11-14-27-46(40)51(47,38-21-9-4-10-22-38)39-23-15-16-35(31-39)42-32-44-41-25-12-13-26-45(41)50(48(44)33-49(42)52,36-17-5-2-6-18-36)37-19-7-3-8-20-37/h2-33H,1H3
InChIKeySHAONRYHYOCWQO-UHFFFAOYSA-N
MW774.75 g/mol
LogP12.99
Rot. Bonds5

About 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene

2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene (PubChem CID 144938622) has the molecular formula C51H35I and a molecular weight of 774.75 g/mol. Its IUPAC name is 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
PubChem CID144938622
Molecular FormulaC51H35I
Molecular Weight774.75 g/mol
Exact Mass774.18
IUPAC Name2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccc(-c2cc3c(cc2I)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C51H35I/c1-34-28-29-47-43(30-34)40-24-11-14-27-46(40)51(47,38-21-9-4-10-22-38)39-23-15-16-35(31-39)42-32-44-41-25-12-13-26-45(41)50(48(44)33-49(42)52,36-17-5-2-6-18-36)37-19-7-3-8-20-37/h2-33H,1H3
InChIKeySHAONRYHYOCWQO-UHFFFAOYSA-N
XLogP12.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.75
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
CID 170297648
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene (CID 144938622) is 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cccc(-c2cc3c(cc2I)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The InChIKey is SHAONRYHYOCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35I/c1-34-28-29-47-43(30-34)40-24-11-14-27-46(40)51(47,38-21-9-4-10-22-38)39-23-15-16-35(31-39)42-32-44-41-25-12-13-26-45(41)50(48(44)33-49(42)52,36-17-5-2-6-18-36)37-19-7-3-8-20-37/h2-33H,1H3.
What are the key properties of 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene has a molecular weight of 774.75 g/mol, XLogP of 12.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 144938622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).