2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene

C74H54 — CID 123907813

IUPAC2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C74H54/c1-73(2)69-43-59(53-24-18-49(19-25-53)48-16-22-52(23-17-48)58-33-30-47-10-5-6-12-57(47)42-58)34-38-65(69)67-40-36-61(45-71(67)73)62-37-41-68-66-39-35-60(44-70(66)74(3,4)72(68)46-62)54-26-20-50(21-27-54)51-28-31-56(32-29-51)64-15-9-13-55-11-7-8-14-63(55)64/h5-46H,1-4H3
InChIKeyPAMGYLIJGQBWOI-UHFFFAOYSA-N
MW943.25 g/mol
LogP20.27
Rot. Bonds7

About 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene

2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene (PubChem CID 123907813) has the molecular formula C74H54 and a molecular weight of 943.25 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
PubChem CID123907813
Molecular FormulaC74H54
Molecular Weight943.25 g/mol
Exact Mass942.42
IUPAC Name2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc3-4)cc21
InChIInChI=1S/C74H54/c1-73(2)69-43-59(53-24-18-49(19-25-53)48-16-22-52(23-17-48)58-33-30-47-10-5-6-12-57(47)42-58)34-38-65(69)67-40-36-61(45-71(67)73)62-37-41-68-66-39-35-60(44-70(66)74(3,4)72(68)46-62)54-26-20-50(21-27-54)51-28-31-56(32-29-51)64-15-9-13-55-11-7-8-14-63(55)64/h5-46H,1-4H3
InChIKeyPAMGYLIJGQBWOI-UHFFFAOYSA-N
XLogP20.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.25
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 162172541
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159070020
9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050496
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(4-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10,10-dimethyl-7-naphthalen-1-yl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 158221077

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene?
The IUPAC name of 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene (CID 123907813) is 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene?
The InChIKey is PAMGYLIJGQBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54/c1-73(2)69-43-59(53-24-18-49(19-25-53)48-16-22-52(23-17-48)58-33-30-47-10-5-6-12-57(47)42-58)34-38-65(69)67-40-36-61(45-71(67)73)62-37-41-68-66-39-35-60(44-70(66)74(3,4)72(68)46-62)54-26-20-50(21-27-54)51-28-31-56(32-29-51)64-15-9-13-55-11-7-8-14-63(55)64/h5-46H,1-4H3.
What are the key properties of 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene?
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene has a molecular weight of 943.25 g/mol, XLogP of 20.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene is sourced from PubChem (CID 123907813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).