3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole

C37H26BrN — CID 59171703

IUPAC3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C37H26BrN/c1-37(2)33-21-26(12-16-29(33)30-17-14-27(38)22-34(30)37)25-13-18-36-32(20-25)31-9-5-6-10-35(31)39(36)28-15-11-23-7-3-4-8-24(23)19-28/h3-22H,1-2H3
InChIKeyCTRAQYAKWBJOIU-UHFFFAOYSA-N
MW564.53 g/mol
LogP10.67
Rot. Bonds2

About 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole

3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 59171703) has the molecular formula C37H26BrN and a molecular weight of 564.53 g/mol. Its IUPAC name is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
PubChem CID59171703
Molecular FormulaC37H26BrN
Molecular Weight564.53 g/mol
Exact Mass563.12
IUPAC Name3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C37H26BrN/c1-37(2)33-21-26(12-16-29(33)30-17-14-27(38)22-34(30)37)25-13-18-36-32(20-25)31-9-5-6-10-35(31)39(36)28-15-11-23-7-3-4-8-24(23)19-28/h3-22H,1-2H3
InChIKeyCTRAQYAKWBJOIU-UHFFFAOYSA-N
XLogP10.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.53
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole (CID 59171703) is 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is CTRAQYAKWBJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26BrN/c1-37(2)33-21-26(12-16-29(33)30-17-14-27(38)22-34(30)37)25-13-18-36-32(20-25)31-9-5-6-10-35(31)39(36)28-15-11-23-7-3-4-8-24(23)19-28/h3-22H,1-2H3.
What are the key properties of 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 564.53 g/mol, XLogP of 10.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-9,9-dimethylfluoren-2-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 59171703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).