3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole

C54H35N — CID 126753751

IUPAC3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4cc(-c6cccc7c6Cc6ccccc6-7)cc6ccccc46)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C54H35N/c1-2-15-39(16-3-1)55-52-24-11-10-20-46(52)49-30-35(26-28-53(49)55)34-25-27-45-44-19-8-9-21-47(44)54(51(45)31-34)50-33-38(29-36-13-4-7-18-41(36)50)42-22-12-23-43-40-17-6-5-14-37(40)32-48(42)43/h1-31,33,54H,32H2
InChIKeyLQUGMYVGGCTSHV-UHFFFAOYSA-N
MW697.88 g/mol
LogP14.00
Rot. Bonds4

About 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole

3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole (PubChem CID 126753751) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole
PubChem CID126753751
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4cc(-c6cccc7c6Cc6ccccc6-7)cc6ccccc46)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C54H35N/c1-2-15-39(16-3-1)55-52-24-11-10-20-46(52)49-30-35(26-28-53(49)55)34-25-27-45-44-19-8-9-21-47(44)54(51(45)31-34)50-33-38(29-36-13-4-7-18-41(36)50)42-22-12-23-43-40-17-6-5-14-37(40)32-48(42)43/h1-31,33,54H,32H2
InChIKeyLQUGMYVGGCTSHV-UHFFFAOYSA-N
XLogP14.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
3-[16-(3,5-diphenylphenyl)-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl]-9-phenylcarbazole
CID 161059724
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
3-[9-[6-(9H-fluoren-2-yl)naphthalen-2-yl]-9H-fluoren-2-yl]-9-phenyl-9H-fluorene;3-[9-[6-(9H-fluoren-3-yl)naphthalen-2-yl]-9H-fluoren-2-yl]-9-phenyl-9H-fluorene;9-[6-(9H-fluoren-1-yl)naphthalen-2-yl]-2-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 157094709
9-[4-(9H-fluoren-1-yl)naphthalen-1-yl]-2-(9-phenyl-9H-fluoren-2-yl)carbazole
CID 126754165
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
CID 146336050
3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole
CID 126754174
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole (CID 126753751) is 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4cc(-c6cccc7c6Cc6ccccc6-7)cc6ccccc46)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole?
The InChIKey is LQUGMYVGGCTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-2-15-39(16-3-1)55-52-24-11-10-20-46(52)49-30-35(26-28-53(49)55)34-25-27-45-44-19-8-9-21-47(44)54(51(45)31-34)50-33-38(29-36-13-4-7-18-41(36)50)42-22-12-23-43-40-17-6-5-14-37(40)32-48(42)43/h1-31,33,54H,32H2.
What are the key properties of 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole?
3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole has a molecular weight of 697.88 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 126753751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).