5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C46H35N — CID 142604920

IUPAC5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c(C3c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C46H35N/c1-46(2)42-23-13-22-41(44-38-20-11-9-18-36(38)37-19-10-12-21-39(37)44)45(42)40-29-28-35(30-43(40)46)47(33-16-7-4-8-17-33)34-26-24-32(25-27-34)31-14-5-3-6-15-31/h3-30,44H,1-2H3
InChIKeyVEBBLEMJEJCYMK-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.29
Rot. Bonds5

About 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 142604920) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID142604920
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c(C3c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C46H35N/c1-46(2)42-23-13-22-41(44-38-20-11-9-18-36(38)37-19-10-12-21-39(37)44)45(42)40-29-28-35(30-43(40)46)47(33-16-7-4-8-17-33)34-26-24-32(25-27-34)31-14-5-3-6-15-31/h3-30,44H,1-2H3
InChIKeyVEBBLEMJEJCYMK-UHFFFAOYSA-N
XLogP12.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
CID 144639598
N-[2-(9H-fluoren-9-yl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 168798213
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 142604920) is 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c(C3c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VEBBLEMJEJCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-46(2)42-23-13-22-41(44-38-20-11-9-18-36(38)37-19-10-12-21-39(37)44)45(42)40-29-28-35(30-43(40)46)47(33-16-7-4-8-17-33)34-26-24-32(25-27-34)31-14-5-3-6-15-31/h3-30,44H,1-2H3.
What are the key properties of 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 601.79 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).