3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline

C144H93N — CID 159532713

IUPAC3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C54H34.C46H31N.C44H28/c1-3-15-37(16-4-1)51-41-19-7-11-23-45(41)53(46-24-12-8-20-42(46)51)39-31-29-35-27-28-36-30-32-40(34-50(36)49(35)33-39)54-47-25-13-9-21-43(47)52(38-17-5-2-6-18-38)44-22-10-14-26-48(44)54;1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)38-29-27-34(28-30-38)45-40-19-9-11-21-42(40)46(43-22-12-10-20-41(43)45)35-26-25-33-24-23-32-13-7-8-18-39(32)44(33)31-35;1-3-13-35-29(10-1)12-9-19-36(35)31-22-25-33(26-23-31)43-38-15-5-7-17-40(38)44(41-18-8-6-16-39(41)43)34-27-24-32-21-20-30-11-2-4-14-37(30)42(32)28-34/h1-34H;1-31H;1-28H
InChIKeyMDEXFXAITDMHNK-UHFFFAOYSA-N
MW1837.34 g/mol
LogP40.83
Rot. Bonds12

About 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline

3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline (PubChem CID 159532713) has the molecular formula C144H93N and a molecular weight of 1837.34 g/mol. Its IUPAC name is 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
PubChem CID159532713
Molecular FormulaC144H93N
Molecular Weight1837.34 g/mol
Exact Mass1835.73
IUPAC Name3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C54H34.C46H31N.C44H28/c1-3-15-37(16-4-1)51-41-19-7-11-23-45(41)53(46-24-12-8-20-42(46)51)39-31-29-35-27-28-36-30-32-40(34-50(36)49(35)33-39)54-47-25-13-9-21-43(47)52(38-17-5-2-6-18-38)44-22-10-14-26-48(44)54;1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)38-29-27-34(28-30-38)45-40-19-9-11-21-42(40)46(43-22-12-10-20-41(43)45)35-26-25-33-24-23-32-13-7-8-18-39(32)44(33)31-35;1-3-13-35-29(10-1)12-9-19-36(35)31-22-25-33(26-23-31)43-38-15-5-7-17-40(38)44(41-18-8-6-16-39(41)43)34-27-24-32-21-20-30-11-2-4-14-37(30)42(32)28-34/h1-34H;1-31H;1-28H
InChIKeyMDEXFXAITDMHNK-UHFFFAOYSA-N
XLogP40.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001837.34
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 143847474
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
4-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 169064723
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
CID 155305413
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline?
The IUPAC name of 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline (CID 159532713) is 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline?
The canonical SMILES for 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline is c1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5c4c3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline?
The InChIKey is MDEXFXAITDMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34.C46H31N.C44H28/c1-3-15-37(16-4-1)51-41-19-7-11-23-45(41)53(46-24-12-8-20-42(46)51)39-31-29-35-27-28-36-30-32-40(34-50(36)49(35)33-39)54-47-25-13-9-21-43(47)52(38-17-5-2-6-18-38)44-22-10-14-26-48(44)54;1-3-14-36(15-4-1)47(37-16-5-2-6-17-37)38-29-27-34(28-30-38)45-40-19-9-11-21-42(40)46(43-22-12-10-20-41(43)45)35-26-25-33-24-23-32-13-7-8-18-39(32)44(33)31-35;1-3-13-35-29(10-1)12-9-19-36(35)31-22-25-33(26-23-31)43-38-15-5-7-17-40(38)44(41-18-8-6-16-39(41)43)34-27-24-32-21-20-30-11-2-4-14-37(30)42(32)28-34/h1-34H;1-31H;1-28H.
What are the key properties of 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline?
3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline has a molecular weight of 1837.34 g/mol, XLogP of 40.83, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline is sourced from PubChem (CID 159532713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).