3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole

C49H30Br2N2 — CID 102125302

IUPAC3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C49H30Br2N2/c50-33-21-23-37-38-24-22-34(51)30-44(38)49(43(37)29-33,31-19-25-47-41(27-31)39-15-7-9-17-45(39)52(47)35-11-3-1-4-12-35)32-20-26-48-42(28-32)40-16-8-10-18-46(40)53(48)36-13-5-2-6-14-36/h1-30H
InChIKeyONEBVMMCXZHFAV-UHFFFAOYSA-N
MW806.60 g/mol
LogP13.77
Rot. Bonds4

About 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole

3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole (PubChem CID 102125302) has the molecular formula C49H30Br2N2 and a molecular weight of 806.60 g/mol. Its IUPAC name is 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
PubChem CID102125302
Molecular FormulaC49H30Br2N2
Molecular Weight806.60 g/mol
Exact Mass804.08
IUPAC Name3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C49H30Br2N2/c50-33-21-23-37-38-24-22-34(51)30-44(38)49(43(37)29-33,31-19-25-47-41(27-31)39-15-7-9-17-45(39)52(47)35-11-3-1-4-12-35)32-20-26-48-42(28-32)40-16-8-10-18-46(40)53(48)36-13-5-2-6-14-36/h1-30H
InChIKeyONEBVMMCXZHFAV-UHFFFAOYSA-N
XLogP13.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.60
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole
CID 174722442
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-(7-bromo-9,9,10,10-tetramethylanthracen-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153445556

Frequently Asked Questions

What is the IUPAC name of 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole (CID 102125302) is 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole is Brc1ccc2c(c1)C(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1cc(Br)ccc1-2.
What is the InChIKey of 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole?
The InChIKey is ONEBVMMCXZHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30Br2N2/c50-33-21-23-37-38-24-22-34(51)30-44(38)49(43(37)29-33,31-19-25-47-41(27-31)39-15-7-9-17-45(39)52(47)35-11-3-1-4-12-35)32-20-26-48-42(28-32)40-16-8-10-18-46(40)53(48)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole?
3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole has a molecular weight of 806.60 g/mol, XLogP of 13.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 102125302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).