9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]

C50H28Br4 — CID 164755510

IUPAC9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc(-c4ccccc4)ccc3-c3c2ccc2c3-c3ccccc3C23c2ccccc2-c2ccccc23)c1
InChIInChI=1S/C50H28Br4/c51-33-23-31(24-34(52)27-33)49(32-25-35(53)28-36(54)26-32)44-20-21-45-47(48(44)40-19-18-30(22-46(40)49)29-10-2-1-3-11-29)39-14-6-9-17-43(39)50(45)41-15-7-4-12-37(41)38-13-5-8-16-42(38)50/h1-28H
InChIKeyALNQJZANOCRHGZ-UHFFFAOYSA-N
MW948.39 g/mol
LogP15.11
Rot. Bonds3

About 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]

9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene] (PubChem CID 164755510) has the molecular formula C50H28Br4 and a molecular weight of 948.39 g/mol. Its IUPAC name is 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene].

Molecular Properties

Compound Name9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
PubChem CID164755510
Molecular FormulaC50H28Br4
Molecular Weight948.39 g/mol
Exact Mass943.89
IUPAC Name9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc(-c4ccccc4)ccc3-c3c2ccc2c3-c3ccccc3C23c2ccccc2-c2ccccc23)c1
InChIInChI=1S/C50H28Br4/c51-33-23-31(24-34(52)27-33)49(32-25-35(53)28-36(54)26-32)44-20-21-45-47(48(44)40-19-18-30(22-46(40)49)29-10-2-1-3-11-29)39-14-6-9-17-43(39)50(45)41-15-7-4-12-37(41)38-13-5-8-16-42(38)50/h1-28H
InChIKeyALNQJZANOCRHGZ-UHFFFAOYSA-N
XLogP15.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.39
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene] with MolForge

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Related Compounds

9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
14,14-bis(3,5-dibromophenyl)-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 154647072
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520

Frequently Asked Questions

What is the IUPAC name of 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]?
The IUPAC name of 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-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 164755510) is 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene].
What is the SMILES notation for 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]?
The canonical SMILES for 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene] is Brc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc(-c4ccccc4)ccc3-c3c2ccc2c3-c3ccccc3C23c2ccccc2-c2ccccc23)c1.
What is the InChIKey of 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]?
The InChIKey is ALNQJZANOCRHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28Br4/c51-33-23-31(24-34(52)27-33)49(32-25-35(53)28-36(54)26-32)44-20-21-45-47(48(44)40-19-18-30(22-46(40)49)29-10-2-1-3-11-29)39-14-6-9-17-43(39)50(45)41-15-7-4-12-37(41)38-13-5-8-16-42(38)50/h1-28H.
What are the key properties of 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]?
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene] has a molecular weight of 948.39 g/mol, XLogP of 15.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene] is sourced from PubChem (CID 164755510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).