4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

C63H47N3 — CID 146370054

IUPAC4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3ccccc3c2)ccc1N(c1ccccc1)c1c(C)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C63H47N3/c1-44-41-52(38-40-60(44)65(50-27-11-5-12-28-50)62-45(2)55-31-18-20-34-61(55)66(62)51-29-13-6-14-30-51)64(53-36-35-46-21-15-16-22-47(46)42-53)54-37-39-57-56-32-17-19-33-58(56)63(59(57)43-54,48-23-7-3-8-24-48)49-25-9-4-10-26-49/h3-43H,1-2H3
InChIKeyZJDPYBSBGWDWEF-UHFFFAOYSA-N
MW846.09 g/mol
LogP16.70
Rot. Bonds9

About 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 146370054) has the molecular formula C63H47N3 and a molecular weight of 846.09 g/mol. Its IUPAC name is 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID146370054
Molecular FormulaC63H47N3
Molecular Weight846.09 g/mol
Exact Mass845.38
IUPAC Name4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3ccccc3c2)ccc1N(c1ccccc1)c1c(C)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C63H47N3/c1-44-41-52(38-40-60(44)65(50-27-11-5-12-28-50)62-45(2)55-31-18-20-34-61(55)66(62)51-29-13-6-14-30-51)64(53-36-35-46-21-15-16-22-47(46)42-53)54-37-39-57-56-32-17-19-33-58(56)63(59(57)43-54,48-23-7-3-8-24-48)49-25-9-4-10-26-49/h3-43H,1-2H3
InChIKeyZJDPYBSBGWDWEF-UHFFFAOYSA-N
XLogP16.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161384283
N-naphthalen-2-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163530919
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 163462319
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155346
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 177080037
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159373859
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
N-[4-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;N-[4-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158886069

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (CID 146370054) is 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is Cc1cc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3ccccc3c2)ccc1N(c1ccccc1)c1c(C)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is ZJDPYBSBGWDWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N3/c1-44-41-52(38-40-60(44)65(50-27-11-5-12-28-50)62-45(2)55-31-18-20-34-61(55)66(62)51-29-13-6-14-30-51)64(53-36-35-46-21-15-16-22-47(46)42-53)54-37-39-57-56-32-17-19-33-58(56)63(59(57)43-54,48-23-7-3-8-24-48)49-25-9-4-10-26-49/h3-43H,1-2H3.
What are the key properties of 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 846.09 g/mol, XLogP of 16.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-diphenylfluoren-2-yl)-2-methyl-1-N-(3-methyl-1-phenylindol-2-yl)-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 146370054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).