N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C70H51N — CID 155153846

IUPACN-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c(-c5ccc(-c6ccccc6)cc5)cccc3-4)cc21
InChIInChI=1S/C70H51N/c1-69(2)64-32-17-15-29-60(64)61-45-43-57(47-65(61)69)71(56-41-38-51(39-42-56)49-22-9-4-10-23-49)67-33-18-16-28-58(67)53-40-44-62-63-31-19-30-59(52-36-34-50(35-37-52)48-20-7-3-8-21-48)68(63)70(66(62)46-53,54-24-11-5-12-25-54)55-26-13-6-14-27-55/h3-47H,1-2H3
InChIKeyRVVOUBKMDYQJLA-UHFFFAOYSA-N
MW906.19 g/mol
LogP18.49
Rot. Bonds9

About N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155153846) has the molecular formula C70H51N and a molecular weight of 906.19 g/mol. Its IUPAC name is N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155153846
Molecular FormulaC70H51N
Molecular Weight906.19 g/mol
Exact Mass905.40
IUPAC NameN-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c(-c5ccc(-c6ccccc6)cc5)cccc3-4)cc21
InChIInChI=1S/C70H51N/c1-69(2)64-32-17-15-29-60(64)61-45-43-57(47-65(61)69)71(56-41-38-51(39-42-56)49-22-9-4-10-23-49)67-33-18-16-28-58(67)53-40-44-62-63-31-19-30-59(52-36-34-50(35-37-52)48-20-7-3-8-21-48)68(63)70(66(62)46-53,54-24-11-5-12-25-54)55-26-13-6-14-27-55/h3-47H,1-2H3
InChIKeyRVVOUBKMDYQJLA-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.19
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155153846) is N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c(-c5ccc(-c6ccccc6)cc5)cccc3-4)cc21.
What is the InChIKey of N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is RVVOUBKMDYQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N/c1-69(2)64-32-17-15-29-60(64)61-45-43-57(47-65(61)69)71(56-41-38-51(39-42-56)49-22-9-4-10-23-49)67-33-18-16-28-58(67)53-40-44-62-63-31-19-30-59(52-36-34-50(35-37-52)48-20-7-3-8-21-48)68(63)70(66(62)46-53,54-24-11-5-12-25-54)55-26-13-6-14-27-55/h3-47H,1-2H3.
What are the key properties of N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 906.19 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).