ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine

C85H116N2 — CID 160845132

IUPACethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C61H44N2.12C2H6/c1-7-23-45(24-8-1)53-35-19-21-37-59(53)62(49-31-15-5-16-32-49)51-39-41-55-56-42-40-52(44-58(56)61(57(55)43-51,47-27-11-3-12-28-47)48-29-13-4-14-30-48)63(50-33-17-6-18-34-50)60-38-22-20-36-54(60)46-25-9-2-10-26-46;12*1-2/h1-44H;12*1-2H3
InChIKeySINUGEKADFRCAC-UHFFFAOYSA-N
MW1165.88 g/mol
LogP28.64
Rot. Bonds10

About ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine

ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine (PubChem CID 160845132) has the molecular formula C85H116N2 and a molecular weight of 1165.88 g/mol. Its IUPAC name is ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Nameethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
PubChem CID160845132
Molecular FormulaC85H116N2
Molecular Weight1165.88 g/mol
Exact Mass1164.91
IUPAC Nameethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C61H44N2.12C2H6/c1-7-23-45(24-8-1)53-35-19-21-37-59(53)62(49-31-15-5-16-32-49)51-39-41-55-56-42-40-52(44-58(56)61(57(55)43-51,47-27-11-3-12-28-47)48-29-13-4-14-30-48)63(50-33-17-6-18-34-50)60-38-22-20-36-54(60)46-25-9-2-10-26-46;12*1-2/h1-44H;12*1-2H3
InChIKeySINUGEKADFRCAC-UHFFFAOYSA-N
XLogP28.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.88
LogP ≤ 528.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 144558373
CID 134272876
CID 134272876
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454

Frequently Asked Questions

What is the IUPAC name of ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine?
The IUPAC name of ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine (CID 160845132) is ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine?
The canonical SMILES for ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine?
The InChIKey is SINUGEKADFRCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2.12C2H6/c1-7-23-45(24-8-1)53-35-19-21-37-59(53)62(49-31-15-5-16-32-49)51-39-41-55-56-42-40-52(44-58(56)61(57(55)43-51,47-27-11-3-12-28-47)48-29-13-4-14-30-48)63(50-33-17-6-18-34-50)60-38-22-20-36-54(60)46-25-9-2-10-26-46;12*1-2/h1-44H;12*1-2H3.
What are the key properties of ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine?
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine has a molecular weight of 1165.88 g/mol, XLogP of 28.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 160845132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).