N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine

C62H47N — CID 169285470

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc5ccc6c(c5c4)-c4ccccc4C6(C)C)cc3)cccc21
InChIInChI=1S/C62H47N/c1-61(2)54-24-10-8-19-51(54)59-50(23-14-26-56(59)61)42-29-35-46(36-30-42)63(47-37-31-43-32-38-57-60(53(43)39-47)52-20-9-11-25-55(52)62(57,3)4)45-33-27-41(28-34-45)49-22-13-18-44-17-12-21-48(58(44)49)40-15-6-5-7-16-40/h5-39H,1-4H3
InChIKeyJUJLPOZUGJBXJG-UHFFFAOYSA-N
MW806.07 g/mol
LogP17.08
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine (PubChem CID 169285470) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
PubChem CID169285470
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc5ccc6c(c5c4)-c4ccccc4C6(C)C)cc3)cccc21
InChIInChI=1S/C62H47N/c1-61(2)54-24-10-8-19-51(54)59-50(23-14-26-56(59)61)42-29-35-46(36-30-42)63(47-37-31-43-32-38-57-60(53(43)39-47)52-20-9-11-25-55(52)62(57,3)4)45-33-27-41(28-34-45)49-22-13-18-44-17-12-21-48(58(44)49)40-15-6-5-7-16-40/h5-39H,1-4H3
InChIKeyJUJLPOZUGJBXJG-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285597
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine (CID 169285470) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc5ccc6c(c5c4)-c4ccccc4C6(C)C)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine?
The InChIKey is JUJLPOZUGJBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-61(2)54-24-10-8-19-51(54)59-50(23-14-26-56(59)61)42-29-35-46(36-30-42)63(47-37-31-43-32-38-57-60(53(43)39-47)52-20-9-11-25-55(52)62(57,3)4)45-33-27-41(28-34-45)49-22-13-18-44-17-12-21-48(58(44)49)40-15-6-5-7-16-40/h5-39H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine has a molecular weight of 806.07 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine is sourced from PubChem (CID 169285470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).