9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene

C45H32 — CID 165164589

IUPAC9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene
SMILESC1=CC2=C(CC1)C(c1ccccc1)c1ccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3Cc3ccccc3-4)cc12
InChIInChI=1S/C45H32/c1-2-11-28(12-3-1)44-36-17-8-6-15-34(36)41-25-29(21-23-39(41)44)30-22-24-40-42(26-30)35-16-7-9-18-37(35)45(40)38-20-10-19-33-32-14-5-4-13-31(32)27-43(33)38/h1-7,9-16,18-26,44-45H,8,17,27H2
InChIKeyRADDLZVWQWRYAP-UHFFFAOYSA-N
MW572.75 g/mol
LogP11.33
Rot. Bonds3

About 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene

9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene (PubChem CID 165164589) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene.

Molecular Properties

Compound Name9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene
PubChem CID165164589
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene
SMILESC1=CC2=C(CC1)C(c1ccccc1)c1ccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3Cc3ccccc3-4)cc12
InChIInChI=1S/C45H32/c1-2-11-28(12-3-1)44-36-17-8-6-15-34(36)41-25-29(21-23-39(41)44)30-22-24-40-42(26-30)35-16-7-9-18-37(35)45(40)38-20-10-19-33-32-14-5-4-13-31(32)27-43(33)38/h1-7,9-16,18-26,44-45H,8,17,27H2
InChIKeyRADDLZVWQWRYAP-UHFFFAOYSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9-[2-(9H-fluoren-4-yl)phenyl]-9H-fluoren-3-yl]-9-phenyl-9H-fluorene
CID 159754601
10-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene;10-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158834334
9-[4-(9H-fluoren-1-yl)naphthalen-1-yl]-2-(9-phenyl-9H-fluoren-2-yl)carbazole
CID 126754165
9-naphthalen-2-yl-5-(9-naphthalen-1-yl-9H-fluoren-3-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158152291
4-[2-(9H-fluoren-2-yl)phenyl]-5-phenyl-5,10-dihydroindeno[2,1-a]indene
CID 164828040
12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]-7H-indeno[1,2-a]carbazole;12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-11,12-dihydroindeno[2,1-a]fluorene
CID 158340607
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
2,9-dihydro-1H-fluoren-9-amine;methane;propan-2-amine
CID 143038930
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
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
3-[9-[3-(9H-fluoren-1-yl)naphthalen-1-yl]-9H-fluoren-2-yl]-9-phenylcarbazole
CID 126753751

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene?
The IUPAC name of 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene (CID 165164589) is 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene.
What is the SMILES notation for 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene?
The canonical SMILES for 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene is C1=CC2=C(CC1)C(c1ccccc1)c1ccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3Cc3ccccc3-4)cc12.
What is the InChIKey of 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene?
The InChIKey is RADDLZVWQWRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-2-11-28(12-3-1)44-36-17-8-6-15-34(36)41-25-29(21-23-39(41)44)30-22-24-40-42(26-30)35-16-7-9-18-37(35)45(40)38-20-10-19-33-32-14-5-4-13-31(32)27-43(33)38/h1-7,9-16,18-26,44-45H,8,17,27H2.
What are the key properties of 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene?
9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene has a molecular weight of 572.75 g/mol, XLogP of 11.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene is sourced from PubChem (CID 165164589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).